(1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine

C9H18N2 — CID 164821517

IUPAC(1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine
SMILESCC(C)N1CC[C@H]2C[C@@]2(N)C1
InChIInChI=1S/C9H18N2/c1-7(2)11-4-3-8-5-9(8,10)6-11/h7-8H,3-6,10H2,1-2H3/t8-,9+/m0/s1
InChIKeyDXHLCYOHKMNCHV-DTWKUNHWSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds1

About (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine

(1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine (PubChem CID 164821517) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine.

Molecular Properties

Compound Name(1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine
PubChem CID164821517
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine
SMILESCC(C)N1CC[C@H]2C[C@@]2(N)C1
InChIInChI=1S/C9H18N2/c1-7(2)11-4-3-8-5-9(8,10)6-11/h7-8H,3-6,10H2,1-2H3/t8-,9+/m0/s1
InChIKeyDXHLCYOHKMNCHV-DTWKUNHWSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59059970
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CID 155648637
1,4-di(propan-2-yl)piperidine
CID 21303253
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
CID 157352955
ethane;(3R)-3-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 142616980
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714
(1-propan-2-ylpiperidin-4-yl)arsane
CID 173205346
4-bromo-1-propan-2-ylpiperidine
CID 67026231
(2R)-2-methyl-5-propan-2-yl-5-azaspiro[2.5]octane
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8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine?
The IUPAC name of (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine (CID 164821517) is (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine.
What is the SMILES notation for (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine?
The canonical SMILES for (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine is CC(C)N1CC[C@H]2C[C@@]2(N)C1.
What is the InChIKey of (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine?
The InChIKey is DXHLCYOHKMNCHV-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-4-3-8-5-9(8,10)6-11/h7-8H,3-6,10H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine?
(1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-3-propan-2-yl-3-azabicyclo[4.1.0]heptan-1-amine is sourced from PubChem (CID 164821517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).