3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine

C15H22N2 — CID 130855630

IUPAC3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCCNC1C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C15H22N2/c1-2-8-16-15-13-10-17(11-14(13)15)9-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3
InChIKeySXHIKKLHBMPMBJ-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.12
Rot. Bonds5

About 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine

3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 130855630) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID130855630
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCCNC1C2CN(Cc3ccccc3)CC21
InChIInChI=1S/C15H22N2/c1-2-8-16-15-13-10-17(11-14(13)15)9-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3
InChIKeySXHIKKLHBMPMBJ-UHFFFAOYSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6-(sulfamoylamino)-3-azabicyclo[3.1.0]hexane
CID 131227646
2-N-[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]benzene-1,2-diamine
CID 59075574
(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol
CID 24783882
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
(6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine
CID 174034273
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357
4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 15223361
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
2-benzyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole
CID 72622975
(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl) propanoate
CID 140794849

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 130855630) is 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine is CCCNC1C2CN(Cc3ccccc3)CC21.
What is the InChIKey of 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is SXHIKKLHBMPMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-8-16-15-13-10-17(11-14(13)15)9-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3.
What are the key properties of 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine?
3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 230.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-propyl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 130855630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).