2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine

C15H24N2 — CID 115117840

IUPAC2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
SMILESCc1ccc(NC2CCCCC2N)c(C)c1C
InChIInChI=1S/C15H24N2/c1-10-8-9-14(12(3)11(10)2)17-15-7-5-4-6-13(15)16/h8-9,13,15,17H,4-7,16H2,1-3H3
InChIKeyKQPFHQVHCSHXRC-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.29
Rot. Bonds2

About 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine

2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine (PubChem CID 115117840) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
PubChem CID115117840
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
SMILESCc1ccc(NC2CCCCC2N)c(C)c1C
InChIInChI=1S/C15H24N2/c1-10-8-9-14(12(3)11(10)2)17-15-7-5-4-6-13(15)16/h8-9,13,15,17H,4-7,16H2,1-3H3
InChIKeyKQPFHQVHCSHXRC-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]methanesulfonamide;ruthenium;1,2,3,4-tetramethylbenzene
CID 87832613
4-[(2-aminocycloheptyl)amino]-3-methylbenzonitrile
CID 55168034
trans-(1R,2R)-2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 93453752
2-N-(2-methyl-4-nitrophenyl)cyclohexane-1,2-diamine
CID 54905535
1-N-(2-methyl-3-nitrophenyl)cycloheptane-1,2-diamine
CID 55167647
2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine
CID 115117806
2,6-dimethyl-3-[(2-methylcyclohexyl)amino]phenol
CID 43741722
4-[(2-aminocyclohexyl)amino]-2,3-difluorobenzoic acid
CID 79841267
2-[[(1S,2S)-2-aminocyclohexyl]amino]-4-chloro-5-methylbenzonitrile
CID 66703712
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736
2-N-(2-methoxy-3,4,6-trimethylphenyl)cyclohexane-1,2-diamine
CID 115117844
2-N-(4-tert-butylphenyl)cyclohexane-1,2-diamine
CID 102571444

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine (CID 115117840) is 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine is Cc1ccc(NC2CCCCC2N)c(C)c1C.
What is the InChIKey of 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine?
The InChIKey is KQPFHQVHCSHXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-8-9-14(12(3)11(10)2)17-15-7-5-4-6-13(15)16/h8-9,13,15,17H,4-7,16H2,1-3H3.
What are the key properties of 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine?
2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 115117840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).