2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine

C16H26N2 — CID 115126165

IUPAC2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)CCC1CCCCC1
InChIInChI=1S/C16H26N2/c1-13-7-6-10-15(17)16(13)18(2)12-11-14-8-4-3-5-9-14/h6-7,10,14H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyNNYZJJHZMSPBTJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.98
Rot. Bonds4

About 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine

2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine (PubChem CID 115126165) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine
PubChem CID115126165
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)CCC1CCCCC1
InChIInChI=1S/C16H26N2/c1-13-7-6-10-15(17)16(13)18(2)12-11-14-8-4-3-5-9-14/h6-7,10,14H,3-5,8-9,11-12,17H2,1-2H3
InChIKeyNNYZJJHZMSPBTJ-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125891
3-chloro-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 115126953
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
2-N-(2-cyclohexylethyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 115147509
2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115126142
4-N-(2-cyclohexylethyl)-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115124009
2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212
2-N-(2-cyclohexylethyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 115148060
2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 113333796
2-N,3-dimethyl-2-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115126153
N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 19855595
4-amino-3-[2-cyclopentylethyl(methyl)amino]benzonitrile
CID 115127341

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine (CID 115126165) is 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine is Cc1cccc(N)c1N(C)CCC1CCCCC1.
What is the InChIKey of 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine?
The InChIKey is NNYZJJHZMSPBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-7-6-10-15(17)16(13)18(2)12-11-14-8-4-3-5-9-14/h6-7,10,14H,3-5,8-9,11-12,17H2,1-2H3.
What are the key properties of 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine?
2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115126165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).