7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol

C199H406FN27O10 — CID 160855417

IUPAC7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)N1C2CCC1CC2.CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1=O.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1C[C@H]2C[C@@H](C1)O2.CC1(C#N)CCN(C(C)(C)C)CC1.CC1(C)CCN(C(C)(C)C)CC1.CC1(F)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)C(=O)C1.CCN1CCN(C(C)(C)C)C(=O)C1.CCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C11H20N2.C11H23N.2C10H20N2O.2C10H22N2.2C10H19NO.C10H19N.C10H21N.C9H18FN.C9H20N2.C9H17NO.2C9H19NO.4C9H19N.C8H15NO2.C8H17NO/c1-10(2,3)13-7-5-11(4,9-12)6-8-13;1-10(2,3)12-8-6-11(4,5)7-9-12;2*1-5-11-6-7-12(9(13)8-11)10(2,3)4;2*1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-10(2,3)11-8-4-5-9(11)7-6-8;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-5-7-4-8(6-10)11-7;2*1-9(2,3)10-6-5-8(7-10)11-4;3*1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-5-11-6-7(9)10;1-8(2,3)9-5-4-7(10)6-9/h5-8H2,1-4H3;6-9H2,1-5H3;2*5-8H2,1-4H3;2*5-9H2,1-4H3;2*8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;5-7H2,1-4H3;5-8H2,1-4H3;7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;3*8H,5-7H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3;7,10H,4-6H2,1-3H3/t;;;;;;;;;;;;7-,8+;5*8-;;;7-/m.............10100..1/s1
InChIKeySJUJNOYWCHMVQV-NYRFXSEPSA-N
MW3356.61 g/mol
LogP35.95
Rot. Bonds6

About 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol

7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol (PubChem CID 160855417) has the molecular formula C199H406FN27O10 and a molecular weight of 3356.61 g/mol. Its IUPAC name is 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol.

Molecular Properties

Compound Name7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol
PubChem CID160855417
Molecular FormulaC199H406FN27O10
Molecular Weight3356.61 g/mol
Exact Mass3354.21
IUPAC Name7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol
SMILESCC(C)(C)N1C2CCC1CC2.CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1=O.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1C[C@H]2C[C@@H](C1)O2.CC1(C#N)CCN(C(C)(C)C)CC1.CC1(C)CCN(C(C)(C)C)CC1.CC1(F)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)C(=O)C1.CCN1CCN(C(C)(C)C)C(=O)C1.CCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C11H20N2.C11H23N.2C10H20N2O.2C10H22N2.2C10H19NO.C10H19N.C10H21N.C9H18FN.C9H20N2.C9H17NO.2C9H19NO.4C9H19N.C8H15NO2.C8H17NO/c1-10(2,3)13-7-5-11(4,9-12)6-8-13;1-10(2,3)12-8-6-11(4,5)7-9-12;2*1-5-11-6-7-12(9(13)8-11)10(2,3)4;2*1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-10(2,3)11-8-4-5-9(11)7-6-8;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-5-7-4-8(6-10)11-7;2*1-9(2,3)10-6-5-8(7-10)11-4;3*1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-5-11-6-7(9)10;1-8(2,3)9-5-4-7(10)6-9/h5-8H2,1-4H3;6-9H2,1-5H3;2*5-8H2,1-4H3;2*5-9H2,1-4H3;2*8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;5-7H2,1-4H3;5-8H2,1-4H3;7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;3*8H,5-7H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3;7,10H,4-6H2,1-3H3/t;;;;;;;;;;;;7-,8+;5*8-;;;7-/m.............10100..1/s1
InChIKeySJUJNOYWCHMVQV-NYRFXSEPSA-N
XLogP35.95
TPSA234.85 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds6
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003356.61
LogP ≤ 535.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol?
The IUPAC name of 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol (CID 160855417) is 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol.
What is the SMILES notation for 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol?
The canonical SMILES for 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol is CC(C)(C)N1C2CCC1CC2.CC(C)(C)N1C2CCC1COC2.CC(C)(C)N1CC2CCC(C1)O2.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1=O.CC(C)(C)N1CC[C@@H](O)C1.CC(C)(C)N1C[C@H]2C[C@@H](C1)O2.CC1(C#N)CCN(C(C)(C)C)CC1.CC1(C)CCN(C(C)(C)C)CC1.CC1(F)CCN(C(C)(C)C)C1.CC1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)C(=O)C1.CCN1CCN(C(C)(C)C)C(=O)C1.CCN1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CO[C@@H]1CCN(C(C)(C)C)C1.CO[C@H]1CCN(C(C)(C)C)C1.C[C@@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.C[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol?
The InChIKey is SJUJNOYWCHMVQV-NYRFXSEPSA-N. The full InChI is InChI=1S/C11H20N2.C11H23N.2C10H20N2O.2C10H22N2.2C10H19NO.C10H19N.C10H21N.C9H18FN.C9H20N2.C9H17NO.2C9H19NO.4C9H19N.C8H15NO2.C8H17NO/c1-10(2,3)13-7-5-11(4,9-12)6-8-13;1-10(2,3)12-8-6-11(4,5)7-9-12;2*1-5-11-6-7-12(9(13)8-11)10(2,3)4;2*1-5-11-6-8-12(9-7-11)10(2,3)4;1-10(2,3)11-8-4-5-9(11)7-12-6-8;1-10(2,3)11-6-8-4-5-9(7-11)12-8;1-10(2,3)11-8-4-5-9(11)7-6-8;1-9-5-7-11(8-6-9)10(2,3)4;1-8(2,3)11-6-5-9(4,10)7-11;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-5-7-4-8(6-10)11-7;2*1-9(2,3)10-6-5-8(7-10)11-4;3*1-8-5-6-10(7-8)9(2,3)4;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-5-11-6-7(9)10;1-8(2,3)9-5-4-7(10)6-9/h5-8H2,1-4H3;6-9H2,1-5H3;2*5-8H2,1-4H3;2*5-9H2,1-4H3;2*8-9H,4-7H2,1-3H3;8-9H,4-7H2,1-3H3;9H,5-8H2,1-4H3;5-7H2,1-4H3;5-8H2,1-4H3;7-8H,4-6H2,1-3H3;2*8H,5-7H2,1-4H3;3*8H,5-7H2,1-4H3;4-8H2,1-3H3;4-6H2,1-3H3;7,10H,4-6H2,1-3H3/t;;;;;;;;;;;;7-,8+;5*8-;;;7-/m.............10100..1/s1.
What are the key properties of 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol?
7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol has a molecular weight of 3356.61 g/mol, XLogP of 35.95, 6 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-7-azabicyclo[2.2.1]heptane;1-tert-butyl-4,4-dimethylpiperidine;bis(1-tert-butyl-4-ethylpiperazine);bis(1-tert-butyl-4-ethylpiperazin-2-one);1-tert-butyl-3-fluoro-3-methylpyrrolidine;(3S)-1-tert-butyl-3-methoxypyrrolidine;(3R)-1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-4-methylpiperidine-4-carbonitrile;(3R)-1-tert-butyl-3-methylpyrrolidine;bis((3S)-1-tert-butyl-3-methylpyrrolidine);4-tert-butylmorpholin-3-one;(1R,5S)-3-tert-butyl-6-oxa-3-azabicyclo[3.1.1]heptane;3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;8-tert-butyl-3-oxa-8-azabicyclo[3.2.1]octane;1-tert-butylpiperidine;(3R)-1-tert-butylpyrrolidin-3-ol is sourced from PubChem (CID 160855417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).