1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine

C17H28N2 — CID 79828839

IUPAC1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCc1ccccc1CN(C)C1CCCC(C)(C)C1N
InChIInChI=1S/C17H28N2/c1-13-8-5-6-9-14(13)12-19(4)15-10-7-11-17(2,3)16(15)18/h5-6,8-9,15-16H,7,10-12,18H2,1-4H3
InChIKeySGGNUQLGLFAESV-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.33
Rot. Bonds3

About 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine

1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 79828839) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
PubChem CID79828839
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
SMILESCc1ccccc1CN(C)C1CCCC(C)(C)C1N
InChIInChI=1S/C17H28N2/c1-13-8-5-6-9-14(13)12-19(4)15-10-7-11-17(2,3)16(15)18/h5-6,8-9,15-16H,7,10-12,18H2,1-4H3
InChIKeySGGNUQLGLFAESV-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
CID 102734447
1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79829556
1-N,3,3-trimethyl-1-N-propylcyclohexane-1,2-diamine
CID 79829475
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
2,2-dimethyl-6-(2-methylphenoxy)cyclohexan-1-amine
CID 79836746
1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
CID 107183698
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046188
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline
CID 79849339
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline
CID 79866942
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-[(2-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086364

Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine (CID 79828839) is 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine is Cc1ccccc1CN(C)C1CCCC(C)(C)C1N.
What is the InChIKey of 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is SGGNUQLGLFAESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-8-5-6-9-14(13)12-19(4)15-10-7-11-17(2,3)16(15)18/h5-6,8-9,15-16H,7,10-12,18H2,1-4H3.
What are the key properties of 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine?
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 79828839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).