(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine

C13H17N — CID 155210583

IUPAC(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
SMILESc1ccc(CN[C@@H]2CC[C@@H]3C[C@@H]32)cc1
InChIInChI=1S/C13H17N/c1-2-4-10(5-3-1)9-14-13-7-6-11-8-12(11)13/h1-5,11-14H,6-9H2/t11-,12+,13-/m1/s1
InChIKeyMUWKQDCHLRAEDE-FRRDWIJNSA-N
MW187.29 g/mol
LogP2.57
Rot. Bonds3

About (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine

(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine (PubChem CID 155210583) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound Name(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
PubChem CID155210583
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
SMILESc1ccc(CN[C@@H]2CC[C@@H]3C[C@@H]32)cc1
InChIInChI=1S/C13H17N/c1-2-4-10(5-3-1)9-14-13-7-6-11-8-12(11)13/h1-5,11-14H,6-9H2/t11-,12+,13-/m1/s1
InChIKeyMUWKQDCHLRAEDE-FRRDWIJNSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
CID 163753125
(1R,6S)-6-(benzylamino)tricyclo[5.2.1.03,9]decan-1-ol
CID 70988093
trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
CID 174043100
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
N-(thiophen-3-ylmethyl)bicyclo[4.1.0]heptan-2-amine
CID 130525428
(1S,2R,5R)-2-benzylbicyclo[3.1.0]hexane
CID 158080473
N-benzyl-5-methylazepan-4-amine
CID 174634749
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
N-benzyl-2-chlorocyclohexan-1-amine
CID 65025438
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
2-N-benzyl-1-N-methylcyclohexane-1,2-diamine
CID 149139761
1-N-benzyl-2-N-[(4-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 71501767

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine?
The IUPAC name of (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine (CID 155210583) is (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine is c1ccc(CN[C@@H]2CC[C@@H]3C[C@@H]32)cc1.
What is the InChIKey of (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine?
The InChIKey is MUWKQDCHLRAEDE-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H17N/c1-2-4-10(5-3-1)9-14-13-7-6-11-8-12(11)13/h1-5,11-14H,6-9H2/t11-,12+,13-/m1/s1.
What are the key properties of (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine?
(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine has a molecular weight of 187.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 155210583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).