1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane

C88H193FN16O — CID 161244917

IUPAC1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane
SMILESC.CC(C)(C)N1CC[C@@H](N)C1.CC(C)N1CCCCCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CC[C@@H](N(C)C)[C@@H](F)C1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CCN1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN(C)[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/2C11H24N2.C10H21FN2.2C10H22N2.C9H20N2.C9H19NO.C9H19N.C8H18N2.CH4/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8(2)13-6-5-10(12(3)4)9(11)7-13;1-10(2,3)12-7-6-9(8-12)11(4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-7(2)11-5-8(3)10-9(4)6-11;1-7(2)10-5-8(3)11-9(4)6-10;1-9(2)10-7-5-3-4-6-8-10;1-8(2,3)10-5-4-7(9)6-10;/h2*10H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3;9H,6-8H2,1-5H3;5-9H2,1-4H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;9H,3-8H2,1-2H3;7H,4-6,9H2,1-3H3;1H4/t;;9-,10+;9-;;2*8-,9+;;7-;/m..00....1./s1
InChIKeyVAMVSWAWKWTLKK-BFNAFZDOSA-N
MW1510.62 g/mol
LogP14.14
Rot. Bonds9

About 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane

1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane (PubChem CID 161244917) has the molecular formula C88H193FN16O and a molecular weight of 1510.62 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane.

Molecular Properties

Compound Name1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane
PubChem CID161244917
Molecular FormulaC88H193FN16O
Molecular Weight1510.62 g/mol
Exact Mass1509.55
IUPAC Name1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane
SMILESC.CC(C)(C)N1CC[C@@H](N)C1.CC(C)N1CCCCCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CC[C@@H](N(C)C)[C@@H](F)C1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CCN1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN(C)[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/2C11H24N2.C10H21FN2.2C10H22N2.C9H20N2.C9H19NO.C9H19N.C8H18N2.CH4/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8(2)13-6-5-10(12(3)4)9(11)7-13;1-10(2,3)12-7-6-9(8-12)11(4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-7(2)11-5-8(3)10-9(4)6-11;1-7(2)10-5-8(3)11-9(4)6-10;1-9(2)10-7-5-3-4-6-8-10;1-8(2,3)10-5-4-7(9)6-10;/h2*10H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3;9H,6-8H2,1-5H3;5-9H2,1-4H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;9H,3-8H2,1-2H3;7H,4-6,9H2,1-3H3;1H4/t;;9-,10+;9-;;2*8-,9+;;7-;/m..00....1./s1
InChIKeyVAMVSWAWKWTLKK-BFNAFZDOSA-N
XLogP14.14
TPSA92.64 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.62
LogP ≤ 514.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane?
The IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane (CID 161244917) is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane.
What is the SMILES notation for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane?
The canonical SMILES for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane is C.CC(C)(C)N1CC[C@@H](N)C1.CC(C)N1CCCCCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC(C)N1CC[C@@H](N(C)C)[C@@H](F)C1.CC(C)N1C[C@@H](C)N[C@@H](C)C1.CC(C)N1C[C@@H](C)O[C@@H](C)C1.CCN1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN(C)[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane?
The InChIKey is VAMVSWAWKWTLKK-BFNAFZDOSA-N. The full InChI is InChI=1S/2C11H24N2.C10H21FN2.2C10H22N2.C9H20N2.C9H19NO.C9H19N.C8H18N2.CH4/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-8(2)13-6-5-10(12(3)4)9(11)7-13;1-10(2,3)12-7-6-9(8-12)11(4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;1-7(2)11-5-8(3)10-9(4)6-11;1-7(2)10-5-8(3)11-9(4)6-10;1-9(2)10-7-5-3-4-6-8-10;1-8(2,3)10-5-4-7(9)6-10;/h2*10H,6-9H2,1-5H3;8-10H,5-7H2,1-4H3;9H,6-8H2,1-5H3;5-9H2,1-4H3;7-10H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;9H,3-8H2,1-2H3;7H,4-6,9H2,1-3H3;1H4/t;;9-,10+;9-;;2*8-,9+;;7-;/m..00....1./s1.
What are the key properties of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane?
1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane has a molecular weight of 1510.62 g/mol, XLogP of 14.14, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;(3S)-1-tert-butyl-N,N-dimethylpyrrolidin-3-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-propan-2-ylpiperazine;(3R)-1-tert-butylpyrrolidin-3-amine;(2S,6R)-2,6-dimethyl-4-propan-2-ylmorpholine;(3R,5S)-3,5-dimethyl-1-propan-2-ylpiperazine;(3S,4R)-3-fluoro-N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;methane;1-propan-2-ylazepane is sourced from PubChem (CID 161244917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).