(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane

C9H17N — CID 130645060

IUPAC(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
SMILESCCCN1CCC[C@@H]2C[C@@H]21
InChIInChI=1S/C9H17N/c1-2-5-10-6-3-4-8-7-9(8)10/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyCUKAKRPIILYFQK-BDAKNGLRSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds2

About (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane

(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane (PubChem CID 130645060) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
PubChem CID130645060
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane
SMILESCCCN1CCC[C@@H]2C[C@@H]21
InChIInChI=1S/C9H17N/c1-2-5-10-6-3-4-8-7-9(8)10/h8-9H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyCUKAKRPIILYFQK-BDAKNGLRSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane with MolForge

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Related Compounds

(4aR,8aR)-6-amino-1-propyl-2,3,4,4a,5,6,8,8a-octahydroquinolin-7-one;dihydrochloride
CID 70473833
2-(3,3,3-trifluoropropyl)-2-azabicyclo[4.1.0]heptane
CID 130608809
(4aS,7S,8aS)-1-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-7-ol
CID 22828499
1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
CID 13457870
1-[2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]ethyl]cyclopropan-1-ol
CID 131177109
(1S,6R)-2-prop-2-ynyl-2-azabicyclo[4.1.0]heptane
CID 130991319
2-[(1S,6R)-2-azabicyclo[4.1.0]heptan-2-yl]acetonitrile
CID 131084599
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
6-methoxy-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline
CID 13340656
(4aS,10aR)-1-propyl-2,3,4,4a,5,7,8,9,10,10a-decahydrobenzo[g]quinolin-6-one;hydrochloride
CID 11550950
(4aS)-1-propyl-2,3,4,4a,5,6,7,8a-octahydroquinolin-8-one
CID 70449555

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane?
The IUPAC name of (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane (CID 130645060) is (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane is CCCN1CCC[C@@H]2C[C@@H]21.
What is the InChIKey of (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane?
The InChIKey is CUKAKRPIILYFQK-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17N/c1-2-5-10-6-3-4-8-7-9(8)10/h8-9H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane?
(1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane has a molecular weight of 139.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-2-propyl-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 130645060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).