6-chloro-N-(cyclohexylmethyl)hexan-1-amine

C13H26ClN — CID 107845744

IUPAC6-chloro-N-(cyclohexylmethyl)hexan-1-amine
SMILESClCCCCCCNCC1CCCCC1
InChIInChI=1S/C13H26ClN/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h13,15H,1-12H2
InChIKeyAPCPGYQLWICAEP-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.96
Rot. Bonds8

About 6-chloro-N-(cyclohexylmethyl)hexan-1-amine

6-chloro-N-(cyclohexylmethyl)hexan-1-amine (PubChem CID 107845744) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)hexan-1-amine
PubChem CID107845744
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC Name6-chloro-N-(cyclohexylmethyl)hexan-1-amine
SMILESClCCCCCCNCC1CCCCC1
InChIInChI=1S/C13H26ClN/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h13,15H,1-12H2
InChIKeyAPCPGYQLWICAEP-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine
CID 106306091
N-(cyclopentylmethyl)decan-1-amine
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3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
N-(chloromethyl)-1-cyclopentylmethanamine
CID 115263105
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
5-(cycloheptylmethylamino)pentanamide
CID 106233402
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
4-chloro-N-(cyclohexylmethyl)pentan-1-amine
CID 106122000
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
2-(cycloundecylmethylamino)ethanol
CID 123930521

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)hexan-1-amine (CID 107845744) is 6-chloro-N-(cyclohexylmethyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)hexan-1-amine is ClCCCCCCNCC1CCCCC1.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)hexan-1-amine?
The InChIKey is APCPGYQLWICAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN/c14-10-6-1-2-7-11-15-12-13-8-4-3-5-9-13/h13,15H,1-12H2.
What are the key properties of 6-chloro-N-(cyclohexylmethyl)hexan-1-amine?
6-chloro-N-(cyclohexylmethyl)hexan-1-amine has a molecular weight of 231.81 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)hexan-1-amine is sourced from PubChem (CID 107845744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).