N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride

C19H36ClN — CID 12779977

IUPACN-(dicyclohexylmethyl)cyclohexanamine;hydrochloride
SMILESC1CCC(NC(C2CCCCC2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C19H35N.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18;/h16-20H,1-15H2;1H
InChIKeyBNYPBSULHDLQOF-UHFFFAOYSA-N
MW313.96 g/mol
LogP5.86
Rot. Bonds4

About N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride

N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride (PubChem CID 12779977) has the molecular formula C19H36ClN and a molecular weight of 313.96 g/mol. Its IUPAC name is N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-(dicyclohexylmethyl)cyclohexanamine;hydrochloride
PubChem CID12779977
Molecular FormulaC19H36ClN
Molecular Weight313.96 g/mol
Exact Mass313.25
IUPAC NameN-(dicyclohexylmethyl)cyclohexanamine;hydrochloride
SMILESC1CCC(NC(C2CCCCC2)C2CCCCC2)CC1.Cl
InChIInChI=1S/C19H35N.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18;/h16-20H,1-15H2;1H
InChIKeyBNYPBSULHDLQOF-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.96
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride?
The IUPAC name of N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride (CID 12779977) is N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride.
What is the SMILES notation for N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride?
The canonical SMILES for N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride is C1CCC(NC(C2CCCCC2)C2CCCCC2)CC1.Cl.
What is the InChIKey of N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride?
The InChIKey is BNYPBSULHDLQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N.ClH/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18;/h16-20H,1-15H2;1H.
What are the key properties of N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride?
N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride has a molecular weight of 313.96 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclohexylmethyl)cyclohexanamine;hydrochloride is sourced from PubChem (CID 12779977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).