N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride

C19H30ClN — CID 19935156

IUPACN-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
SMILESCl.c1ccc(C2CCC(NCC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29N.ClH/c1-3-7-16(8-4-1)15-20-19-13-11-18(12-14-19)17-9-5-2-6-10-17;/h2,5-6,9-10,16,18-20H,1,3-4,7-8,11-15H2;1H
InChIKeyKPDDIZDAZBRBNX-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.30
Rot. Bonds4

About N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride

N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride (PubChem CID 19935156) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
PubChem CID19935156
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
SMILESCl.c1ccc(C2CCC(NCC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H29N.ClH/c1-3-7-16(8-4-1)15-20-19-13-11-18(12-14-19)17-9-5-2-6-10-17;/h2,5-6,9-10,16,18-20H,1,3-4,7-8,11-15H2;1H
InChIKeyKPDDIZDAZBRBNX-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43632316
N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine
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4-[(4-phenylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 122031272
N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
CID 63824060
CID 159076923
CID 159076923
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119624456
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635351
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride (CID 19935156) is N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride is Cl.c1ccc(C2CCC(NCC3CCCCC3)CC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride?
The InChIKey is KPDDIZDAZBRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N.ClH/c1-3-7-16(8-4-1)15-20-19-13-11-18(12-14-19)17-9-5-2-6-10-17;/h2,5-6,9-10,16,18-20H,1,3-4,7-8,11-15H2;1H.
What are the key properties of N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride?
N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride has a molecular weight of 307.91 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 19935156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).