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

C16H26N2 — CID 115117930

IUPAC2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
SMILESCc1ccc(N(C)C2CCCCC2N)c(C)c1C
InChIInChI=1S/C16H26N2/c1-11-9-10-15(13(3)12(11)2)18(4)16-8-6-5-7-14(16)17/h9-10,14,16H,5-8,17H2,1-4H3
InChIKeyPIVCDBWWZBNQKU-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.32
Rot. Bonds2

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

2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine (PubChem CID 115117930) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
PubChem CID115117930
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
SMILESCc1ccc(N(C)C2CCCCC2N)c(C)c1C
InChIInChI=1S/C16H26N2/c1-11-9-10-15(13(3)12(11)2)18(4)16-8-6-5-7-14(16)17/h9-10,14,16H,5-8,17H2,1-4H3
InChIKeyPIVCDBWWZBNQKU-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639487
2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117860
2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine
CID 115117895
2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117890
2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide
CID 102639688
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
CID 102639798
2-N-methyl-2-N-(2,3,4,5,6-pentafluorophenyl)cyclohexane-1,2-diamine
CID 102639736
1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117215
N-(2-aminocyclohexyl)-N,2,5-trimethylbenzenesulfonamide
CID 102639287
1-N-methyl-1-N-(4-phenylphenyl)cyclopentane-1,2-diamine
CID 115117252
2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
CID 115117840
1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117243

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine (CID 115117930) is 2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine is Cc1ccc(N(C)C2CCCCC2N)c(C)c1C.
What is the InChIKey of 2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine?
The InChIKey is PIVCDBWWZBNQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-9-10-15(13(3)12(11)2)18(4)16-8-6-5-7-14(16)17/h9-10,14,16H,5-8,17H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine?
2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 115117930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).