N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride

C17H34ClN — CID 174640221

IUPACN-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
SMILESCCCCN(CC1CCCCC1)C1CCCCC1.Cl
InChIInChI=1S/C17H33N.ClH/c1-2-3-14-18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16;/h16-17H,2-15H2,1H3;1H
InChIKeyGHILMZAYQCXZNQ-UHFFFAOYSA-N
MW287.92 g/mol
LogP5.42
Rot. Bonds6

About N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride

N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride (PubChem CID 174640221) has the molecular formula C17H34ClN and a molecular weight of 287.92 g/mol. Its IUPAC name is N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
PubChem CID174640221
Molecular FormulaC17H34ClN
Molecular Weight287.92 g/mol
Exact Mass287.24
IUPAC NameN-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
SMILESCCCCN(CC1CCCCC1)C1CCCCC1.Cl
InChIInChI=1S/C17H33N.ClH/c1-2-3-14-18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16;/h16-17H,2-15H2,1H3;1H
InChIKeyGHILMZAYQCXZNQ-UHFFFAOYSA-N
XLogP5.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.92
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 15751893
3-[[butyl(cyclopropyl)amino]methyl]cyclohexan-1-amine
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N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine
CID 102860573
N'-cyclobutyl-N'-(cyclobutylmethyl)propane-1,3-diamine
CID 102875057
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N-butyl-N-(cyclohexylmethyl)hydroxylamine
CID 172752366
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-(2-bromoethyl)-N-(cyclobutylmethyl)cyclopentanamine
CID 80672742
N,N-dipropylcyclodecanamine
CID 139723962
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
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N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride?
The IUPAC name of N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride (CID 174640221) is N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride.
What is the SMILES notation for N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride?
The canonical SMILES for N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride is CCCCN(CC1CCCCC1)C1CCCCC1.Cl.
What is the InChIKey of N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride?
The InChIKey is GHILMZAYQCXZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N.ClH/c1-2-3-14-18(17-12-8-5-9-13-17)15-16-10-6-4-7-11-16;/h16-17H,2-15H2,1H3;1H.
What are the key properties of N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride?
N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride has a molecular weight of 287.92 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride is sourced from PubChem (CID 174640221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).