(5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine

C6H11ClN2 — CID 162367528

IUPAC(5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESNCC12CNCC1(Cl)C2
InChIInChI=1S/C6H11ClN2/c7-6-1-5(6,2-8)3-9-4-6/h9H,1-4,8H2
InChIKeyAKZCSRHKJOJDRR-UHFFFAOYSA-N
MW146.62 g/mol
LogP-0.08
Rot. Bonds1

About (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine

(5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine (PubChem CID 162367528) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
PubChem CID162367528
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name(5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESNCC12CNCC1(Cl)C2
InChIInChI=1S/C6H11ClN2/c7-6-1-5(6,2-8)3-9-4-6/h9H,1-4,8H2
InChIKeyAKZCSRHKJOJDRR-UHFFFAOYSA-N
XLogP-0.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
CID 162367527
[3-(fluoromethyl)azetidin-3-yl]methanamine
CID 105427144
3-[1-(aminomethyl)cyclopropyl]azetidin-3-ol
CID 130513389
[3-(4-methylpentyl)azetidin-3-yl]methanamine
CID 167294582
[(1R,7R)-1-bromo-3-azabicyclo[5.1.0]octan-7-yl]methanamine
CID 162367515
(3-chloro-1-bicyclo[1.1.1]pentanyl)methanamine
CID 171084354
3,3-diethylazetidine;hydrochloride
CID 119032125
3-aminoazetidin-3-ol
CID 123946188
3-[[(2S)-aziridin-2-yl]methyl]-3-chloroazetidine
CID 89149326
[4-(fluoromethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 139533721
(3-pyrrolidin-1-ylazetidin-3-yl)methanamine
CID 105430429
4-[1-(aminomethyl)cyclopentyl]azepan-4-ol
CID 103983091

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
The IUPAC name of (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine (CID 162367528) is (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine.
What is the SMILES notation for (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
The canonical SMILES for (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine is NCC12CNCC1(Cl)C2.
What is the InChIKey of (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
The InChIKey is AKZCSRHKJOJDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2/c7-6-1-5(6,2-8)3-9-4-6/h9H,1-4,8H2.
What are the key properties of (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
(5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine has a molecular weight of 146.62 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine is sourced from PubChem (CID 162367528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).