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

C6H11ClN2 — CID 162367531

IUPAC(6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESNCC12CNCC1C2Cl
InChIInChI=1S/C6H11ClN2/c7-5-4-1-9-3-6(4,5)2-8/h4-5,9H,1-3,8H2
InChIKeySWKNIKVNEASYQY-UHFFFAOYSA-N
MW146.62 g/mol
LogP-0.23
Rot. Bonds1

About (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine

(6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine (PubChem CID 162367531) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine.

Molecular Properties

Compound Name(6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
PubChem CID162367531
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name(6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine
SMILESNCC12CNCC1C2Cl
InChIInChI=1S/C6H11ClN2/c7-5-4-1-9-3-6(4,5)2-8/h4-5,9H,1-3,8H2
InChIKeySWKNIKVNEASYQY-UHFFFAOYSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
The IUPAC name of (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine (CID 162367531) is (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine.
What is the SMILES notation for (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
The canonical SMILES for (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine is NCC12CNCC1C2Cl.
What is the InChIKey of (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
The InChIKey is SWKNIKVNEASYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2/c7-5-4-1-9-3-6(4,5)2-8/h4-5,9H,1-3,8H2.
What are the key properties of (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine?
(6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine has a molecular weight of 146.62 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-azabicyclo[3.1.0]hexan-1-yl)methanamine is sourced from PubChem (CID 162367531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).