2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine

C17H28N2 — CID 102639798

IUPAC2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCc1cc(C)c(CN(C)C2CCCCC2N)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-9-13(2)15(14(3)10-12)11-19(4)17-8-6-5-7-16(17)18/h9-10,16-17H,5-8,11,18H2,1-4H3
InChIKeyUVYJLUYUYAVEDT-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.31
Rot. Bonds3

About 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine

2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 102639798) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
PubChem CID102639798
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCc1cc(C)c(CN(C)C2CCCCC2N)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-9-13(2)15(14(3)10-12)11-19(4)17-8-6-5-7-16(17)18/h9-10,16-17H,5-8,11,18H2,1-4H3
InChIKeyUVYJLUYUYAVEDT-UHFFFAOYSA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 102637218
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118030
2-[[(2-aminocyclohexyl)-methylamino]methyl]-6-methanimidoyl-4-methylphenol
CID 142273238
4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]cyclohexan-1-ol
CID 115149528
N-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidin-4-amine
CID 55085534
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
2-N-[(5-bromothiophen-2-yl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118036
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
2-N-(4-ethoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117890

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine (CID 102639798) is 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine is Cc1cc(C)c(CN(C)C2CCCCC2N)c(C)c1.
What is the InChIKey of 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is UVYJLUYUYAVEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-9-13(2)15(14(3)10-12)11-19(4)17-8-6-5-7-16(17)18/h9-10,16-17H,5-8,11,18H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine?
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.31, 3 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-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 102639798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).