[1-(chloromethyl)cyclohexyl]methanamine

C8H16ClN — CID 55255403

IUPAC[1-(chloromethyl)cyclohexyl]methanamine
SMILESNCC1(CCl)CCCCC1
InChIInChI=1S/C8H16ClN/c9-6-8(7-10)4-2-1-3-5-8/h1-7,10H2
InChIKeyYWQGBCJAKUMRSL-UHFFFAOYSA-N
MW161.68 g/mol
LogP2.13
Rot. Bonds2

About [1-(chloromethyl)cyclohexyl]methanamine

[1-(chloromethyl)cyclohexyl]methanamine (PubChem CID 55255403) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is [1-(chloromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(chloromethyl)cyclohexyl]methanamine
PubChem CID55255403
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name[1-(chloromethyl)cyclohexyl]methanamine
SMILESNCC1(CCl)CCCCC1
InChIInChI=1S/C8H16ClN/c9-6-8(7-10)4-2-1-3-5-8/h1-7,10H2
InChIKeyYWQGBCJAKUMRSL-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 [1-(chloromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(chloromethyl)cyclohexyl]methanamine (CID 55255403) is [1-(chloromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(chloromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(chloromethyl)cyclohexyl]methanamine is NCC1(CCl)CCCCC1.
What is the InChIKey of [1-(chloromethyl)cyclohexyl]methanamine?
The InChIKey is YWQGBCJAKUMRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c9-6-8(7-10)4-2-1-3-5-8/h1-7,10H2.
What are the key properties of [1-(chloromethyl)cyclohexyl]methanamine?
[1-(chloromethyl)cyclohexyl]methanamine 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 [1-(chloromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 55255403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).