N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline

C20H31N — CID 63422587

IUPACN-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline
SMILESCc1ccc(NC2CCCCC2C2CCCCC2)cc1C
InChIInChI=1S/C20H31N/c1-15-12-13-18(14-16(15)2)21-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h12-14,17,19-21H,3-11H2,1-2H3
InChIKeyJKTPPFBXQCSJNU-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.85
Rot. Bonds3

About N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline

N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline (PubChem CID 63422587) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline
PubChem CID63422587
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline
SMILESCc1ccc(NC2CCCCC2C2CCCCC2)cc1C
InChIInChI=1S/C20H31N/c1-15-12-13-18(14-16(15)2)21-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h12-14,17,19-21H,3-11H2,1-2H3
InChIKeyJKTPPFBXQCSJNU-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethylanilino)cycloheptan-1-ol
CID 60896994
trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline
CID 63421987
N-(3,4-dimethylphenyl)-2-methylthian-3-amine
CID 79957620
N-(3,4-dimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309908
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
N-(1-cyclopentylethyl)-3,4-dimethylaniline
CID 62634053
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol
CID 102731211

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline?
The IUPAC name of N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline (CID 63422587) is N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline.
What is the SMILES notation for N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline?
The canonical SMILES for N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline is Cc1ccc(NC2CCCCC2C2CCCCC2)cc1C.
What is the InChIKey of N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline?
The InChIKey is JKTPPFBXQCSJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-15-12-13-18(14-16(15)2)21-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h12-14,17,19-21H,3-11H2,1-2H3.
What are the key properties of N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline?
N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline has a molecular weight of 285.48 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline is sourced from PubChem (CID 63422587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).