1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine

C20H31N — CID 63418165

IUPAC1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine
SMILESCNC(C1CCCCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H31N/c1-21-19(17-11-5-2-6-12-17)20(15-9-4-10-16-20)18-13-7-3-8-14-18/h3,7-8,13-14,17,19,21H,2,4-6,9-12,15-16H2,1H3
InChIKeyDYVFVSSKIKFGHZ-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.06
Rot. Bonds4

About 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine

1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine (PubChem CID 63418165) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine
PubChem CID63418165
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine
SMILESCNC(C1CCCCC1)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H31N/c1-21-19(17-11-5-2-6-12-17)20(15-9-4-10-16-20)18-13-7-3-8-14-18/h3,7-8,13-14,17,19,21H,2,4-6,9-12,15-16H2,1H3
InChIKeyDYVFVSSKIKFGHZ-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine (CID 63418165) is 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine is CNC(C1CCCCC1)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine?
The InChIKey is DYVFVSSKIKFGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-21-19(17-11-5-2-6-12-17)20(15-9-4-10-16-20)18-13-7-3-8-14-18/h3,7-8,13-14,17,19,21H,2,4-6,9-12,15-16H2,1H3.
What are the key properties of 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine?
1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine has a molecular weight of 285.47 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine is sourced from PubChem (CID 63418165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).