2-(2-chlorocyclohexyl)ethanamine

C8H16ClN — CID 53423115

IUPAC2-(2-chlorocyclohexyl)ethanamine
SMILESNCCC1CCCCC1Cl
InChIInChI=1S/C8H16ClN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-6,10H2
InChIKeyNFNYPWPUGNRIQE-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.13
Rot. Bonds2

About 2-(2-chlorocyclohexyl)ethanamine

2-(2-chlorocyclohexyl)ethanamine (PubChem CID 53423115) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-(2-chlorocyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorocyclohexyl)ethanamine
PubChem CID53423115
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-(2-chlorocyclohexyl)ethanamine
SMILESNCCC1CCCCC1Cl
InChIInChI=1S/C8H16ClN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-6,10H2
InChIKeyNFNYPWPUGNRIQE-UHFFFAOYSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(2-chlorocyclohexyl)ethanamine?
The IUPAC name of 2-(2-chlorocyclohexyl)ethanamine (CID 53423115) is 2-(2-chlorocyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-chlorocyclohexyl)ethanamine?
The canonical SMILES for 2-(2-chlorocyclohexyl)ethanamine is NCCC1CCCCC1Cl.
What is the InChIKey of 2-(2-chlorocyclohexyl)ethanamine?
The InChIKey is NFNYPWPUGNRIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c9-8-4-2-1-3-7(8)5-6-10/h7-8H,1-6,10H2.
What are the key properties of 2-(2-chlorocyclohexyl)ethanamine?
2-(2-chlorocyclohexyl)ethanamine has a molecular weight of 161.68 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorocyclohexyl)ethanamine is sourced from PubChem (CID 53423115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).