1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine

C20H31N — CID 43484996

IUPAC1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C2CCCCC2)cc1)C1CCCCC1
InChIInChI=1S/C20H31N/c1-21-20(18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h12-16,18,20-21H,2-11H2,1H3
InChIKeyNXUFNOKBCBTITF-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.58
Rot. Bonds4

About 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine

1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine (PubChem CID 43484996) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
PubChem CID43484996
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C2CCCCC2)cc1)C1CCCCC1
InChIInChI=1S/C20H31N/c1-21-20(18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h12-16,18,20-21H,2-11H2,1H3
InChIKeyNXUFNOKBCBTITF-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
1-(4-chlorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 43481433
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018209
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755102
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 105027698

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine (CID 43484996) is 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine is CNC(c1ccc(C2CCCCC2)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine?
The InChIKey is NXUFNOKBCBTITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-21-20(18-10-6-3-7-11-18)19-14-12-17(13-15-19)16-8-4-2-5-9-16/h12-16,18,20-21H,2-11H2,1H3.
What are the key properties of 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine?
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine has a molecular weight of 285.47 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43484996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).