N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline

C16H25N — CID 64731599

IUPACN-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H25N/c1-11-7-12(2)9-16(8-11)17-15-6-5-13(3)14(4)10-15/h7-9,13-15,17H,5-6,10H2,1-4H3
InChIKeyHSNHYQJBHYTXRO-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.54
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline

N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline (PubChem CID 64731599) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
PubChem CID64731599
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H25N/c1-11-7-12(2)9-16(8-11)17-15-6-5-13(3)14(4)10-15/h7-9,13-15,17H,5-6,10H2,1-4H3
InChIKeyHSNHYQJBHYTXRO-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 107571712
3-bromo-N-(3,4-dimethylcyclohexyl)-5-methoxyaniline
CID 82858459
6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine
CID 114050192
3-N-cyclopropyl-5-methylbenzene-1,3-diamine
CID 112646925
1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
CID 64738718
N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine
CID 64741526
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
N-(2,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64775359
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline
CID 64731604
4-[(3,4-dimethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81282708

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline (CID 64731599) is N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline is Cc1cc(C)cc(NC2CCC(C)C(C)C2)c1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline?
The InChIKey is HSNHYQJBHYTXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11-7-12(2)9-16(8-11)17-15-6-5-13(3)14(4)10-15/h7-9,13-15,17H,5-6,10H2,1-4H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline?
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline has a molecular weight of 231.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline is sourced from PubChem (CID 64731599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).