N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride

C21H40ClN — CID 12779948

IUPACN-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride
SMILESC1CCC(NCCC(C2CCCCC2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C21H39N.ClH/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)16-17-22-20-14-8-3-9-15-20;/h18-22H,1-17H2;1H
InChIKeyTYHGCVCQEZXUBM-UHFFFAOYSA-N
MW342.01 g/mol
LogP6.50
Rot. Bonds6

About N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride

N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride (PubChem CID 12779948) has the molecular formula C21H40ClN and a molecular weight of 342.01 g/mol. Its IUPAC name is N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride
PubChem CID12779948
Molecular FormulaC21H40ClN
Molecular Weight342.01 g/mol
Exact Mass341.28
IUPAC NameN-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride
SMILESC1CCC(NCCC(C2CCCCC2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C21H39N.ClH/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)16-17-22-20-14-8-3-9-15-20;/h18-22H,1-17H2;1H
InChIKeyTYHGCVCQEZXUBM-UHFFFAOYSA-N
XLogP6.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.01
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-(3-chlorobutyl)cyclopentanamine
CID 82936490
N-(3-methylsulfanylbutyl)cyclooctanamine
CID 115716124
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
(3S)-2-amino-1-cyclohexyl-5-(cyclohexylamino)pentan-3-ol
CID 58964082
N-(2-chloroethyl)cyclooctanamine
CID 18316363
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
(1-cyclohexyl-4-methylpentyl)cyclohexane
CID 21259623

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride?
The IUPAC name of N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride (CID 12779948) is N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride.
What is the SMILES notation for N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride?
The canonical SMILES for N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride is C1CCC(NCCC(C2CCCCC2)C2CCCCC2)CC1.Cl.
What is the InChIKey of N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride?
The InChIKey is TYHGCVCQEZXUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N.ClH/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)16-17-22-20-14-8-3-9-15-20;/h18-22H,1-17H2;1H.
What are the key properties of N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride?
N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride has a molecular weight of 342.01 g/mol, XLogP of 6.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dicyclohexylpropyl)cyclohexanamine;hydrochloride is sourced from PubChem (CID 12779948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).