2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane)

C138H292N18 — CID 160826568

IUPAC2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane)
SMILESCC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[C@H](N)C1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)CCN1.C[C@@H]1CN(C(C)(C)C)C[C@H](C)N1.C[C@H]1CN(C(C)(C)C)CCN1
InChIInChI=1S/C11H21N.3C11H22.2C10H22N2.2C10H21N.5C9H20N2.C9H19N/c1-11(2,3)12-7-9-5-4-6-10(9)8-12;3*1-11(2,3)9-10-7-5-4-6-8-10;1-8-6-12(10(3,4)5)7-9(2)11-8;1-10(2,3)12-7-5-9(11-4)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)11-7-5-10(4)6-8-11;2*1-8-7-11(6-5-10-8)9(2,3)4;2*1-9(2,3)11-6-4-5-8(10)7-11;1-9(2,3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3;3*10H,4-9H2,1-3H3;8-9,11H,6-7H2,1-5H3;9,11H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;5-8H2,1-4H3;2*8,10H,5-7H2,1-4H3;2*8H,4-7,10H2,1-3H3;4-8H2,1-3H3/t;;;;8-,9+;;;;;4*8-;/m.........1010./s1
InChIKeySGGFYQIOHPRWCQ-ASICJODRSA-N
MW2203.98 g/mol
LogP30.52
Rot. Bonds4

About 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane)

2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane) (PubChem CID 160826568) has the molecular formula C138H292N18 and a molecular weight of 2203.98 g/mol. Its IUPAC name is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane).

Molecular Properties

Compound Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane)
PubChem CID160826568
Molecular FormulaC138H292N18
Molecular Weight2203.98 g/mol
Exact Mass2202.34
IUPAC Name2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane)
SMILESCC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[C@H](N)C1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)CCN1.C[C@@H]1CN(C(C)(C)C)C[C@H](C)N1.C[C@H]1CN(C(C)(C)C)CCN1
InChIInChI=1S/C11H21N.3C11H22.2C10H22N2.2C10H21N.5C9H20N2.C9H19N/c1-11(2,3)12-7-9-5-4-6-10(9)8-12;3*1-11(2,3)9-10-7-5-4-6-8-10;1-8-6-12(10(3,4)5)7-9(2)11-8;1-10(2,3)12-7-5-9(11-4)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)11-7-5-10(4)6-8-11;2*1-8-7-11(6-5-10-8)9(2,3)4;2*1-9(2,3)11-6-4-5-8(10)7-11;1-9(2,3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3;3*10H,4-9H2,1-3H3;8-9,11H,6-7H2,1-5H3;9,11H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;5-8H2,1-4H3;2*8,10H,5-7H2,1-4H3;2*8H,4-7,10H2,1-3H3;4-8H2,1-3H3/t;;;;8-,9+;;;;;4*8-;/m.........1010./s1
InChIKeySGGFYQIOHPRWCQ-ASICJODRSA-N
XLogP30.52
TPSA139.04 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002203.98
LogP ≤ 530.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane)?
The IUPAC name of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane) (CID 160826568) is 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane).
What is the SMILES notation for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane)?
The canonical SMILES for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane) is CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)N1CC2CCCC2C1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CCC[C@H](N)C1.CC1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.CNC1CCN(C(C)(C)C)CC1.C[C@@H]1CN(C(C)(C)C)CCN1.C[C@@H]1CN(C(C)(C)C)C[C@H](C)N1.C[C@H]1CN(C(C)(C)C)CCN1.
What is the InChIKey of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane)?
The InChIKey is SGGFYQIOHPRWCQ-ASICJODRSA-N. The full InChI is InChI=1S/C11H21N.3C11H22.2C10H22N2.2C10H21N.5C9H20N2.C9H19N/c1-11(2,3)12-7-9-5-4-6-10(9)8-12;3*1-11(2,3)9-10-7-5-4-6-8-10;1-8-6-12(10(3,4)5)7-9(2)11-8;1-10(2,3)12-7-5-9(11-4)6-8-12;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)11-7-5-10(4)6-8-11;2*1-8-7-11(6-5-10-8)9(2,3)4;2*1-9(2,3)11-6-4-5-8(10)7-11;1-9(2,3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3;3*10H,4-9H2,1-3H3;8-9,11H,6-7H2,1-5H3;9,11H,5-8H2,1-4H3;9H,5-8H2,1-4H3;4-9H2,1-3H3;5-8H2,1-4H3;2*8,10H,5-7H2,1-4H3;2*8H,4-7,10H2,1-3H3;4-8H2,1-3H3/t;;;;8-,9+;;;;;4*8-;/m.........1010./s1.
What are the key properties of 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane)?
2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane) has a molecular weight of 2203.98 g/mol, XLogP of 30.52, 4 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-tert-butylazepane;(3R,5S)-1-tert-butyl-3,5-dimethylpiperazine;1-tert-butyl-4-methylpiperazine;(3R)-1-tert-butyl-3-methylpiperazine;(3S)-1-tert-butyl-3-methylpiperazine;1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;1-tert-butylpiperidine;tris(2,2-dimethylpropylcyclohexane) is sourced from PubChem (CID 160826568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).