1-(4-cyclohexylphenyl)-N'-methylmethanediamine

C14H22N2 — CID 116939287

IUPAC1-(4-cyclohexylphenyl)-N'-methylmethanediamine
SMILESCNC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H22N2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11,14,16H,2-6,15H2,1H3
InChIKeyZLHNLTRHSZMSPI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-cyclohexylphenyl)-N'-methylmethanediamine

1-(4-cyclohexylphenyl)-N'-methylmethanediamine (PubChem CID 116939287) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-N'-methylmethanediamine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-N'-methylmethanediamine
PubChem CID116939287
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(4-cyclohexylphenyl)-N'-methylmethanediamine
SMILESCNC(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H22N2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11,14,16H,2-6,15H2,1H3
InChIKeyZLHNLTRHSZMSPI-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996
2-amino-2-(4-cyclohexylphenyl)acetamide
CID 116850743
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
CID 43484998
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000898

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-N'-methylmethanediamine?
The IUPAC name of 1-(4-cyclohexylphenyl)-N'-methylmethanediamine (CID 116939287) is 1-(4-cyclohexylphenyl)-N'-methylmethanediamine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-N'-methylmethanediamine?
The canonical SMILES for 1-(4-cyclohexylphenyl)-N'-methylmethanediamine is CNC(N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-N'-methylmethanediamine?
The InChIKey is ZLHNLTRHSZMSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11,14,16H,2-6,15H2,1H3.
What are the key properties of 1-(4-cyclohexylphenyl)-N'-methylmethanediamine?
1-(4-cyclohexylphenyl)-N'-methylmethanediamine has a molecular weight of 218.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-N'-methylmethanediamine is sourced from PubChem (CID 116939287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).