N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline

C20H33N — CID 64732806

IUPACN-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(NC2CCC(C)C(C)C2)c(C(C)C)c1
InChIInChI=1S/C20H33N/c1-13(2)17-8-10-20(19(12-17)14(3)4)21-18-9-7-15(5)16(6)11-18/h8,10,12-16,18,21H,7,9,11H2,1-6H3
InChIKeyFFWNSYASMRVFIF-UHFFFAOYSA-N
MW287.49 g/mol
LogP6.17
Rot. Bonds4

About N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline

N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline (PubChem CID 64732806) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline
PubChem CID64732806
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline
SMILESCC(C)c1ccc(NC2CCC(C)C(C)C2)c(C(C)C)c1
InChIInChI=1S/C20H33N/c1-13(2)17-8-10-20(19(12-17)14(3)4)21-18-9-7-15(5)16(6)11-18/h8,10,12-16,18,21H,7,9,11H2,1-6H3
InChIKeyFFWNSYASMRVFIF-UHFFFAOYSA-N
XLogP6.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline
CID 64501064
2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561254
N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81466521
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
CID 64731999
N-(3,3-dimethylcyclopentyl)-2,4-di(propan-2-yl)aniline
CID 80705917
1-N-(3,4-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 64740874
1-N-(3,4-dimethylcyclohexyl)-4-iodobenzene-1,2-diamine
CID 66082123
N-cyclohexyl-2,5-di(propan-2-yl)aniline
CID 170213032
6-chloro-N-(3,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951804
N-[2,4-di(propan-2-yl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102777869
2-bromo-N-(3,4-dimethylcyclohexyl)aniline
CID 64731596
methyl 2-[(3,4-dimethylcyclohexyl)amino]-5-fluorobenzoate
CID 64744221

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline (CID 64732806) is N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline is CC(C)c1ccc(NC2CCC(C)C(C)C2)c(C(C)C)c1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline?
The InChIKey is FFWNSYASMRVFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-13(2)17-8-10-20(19(12-17)14(3)4)21-18-9-7-15(5)16(6)11-18/h8,10,12-16,18,21H,7,9,11H2,1-6H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline?
N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline has a molecular weight of 287.49 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline is sourced from PubChem (CID 64732806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).