1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C16H26N2 — CID 113297673

IUPAC1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NC2CCCC2(C)C)cc1N(C)C
InChIInChI=1S/C16H26N2/c1-12-8-9-13(11-14(12)18(4)5)17-15-7-6-10-16(15,2)3/h8-9,11,15,17H,6-7,10H2,1-5H3
InChIKeyYEHYEPNELDFNGR-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.05
Rot. Bonds3

About 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 113297673) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID113297673
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NC2CCCC2(C)C)cc1N(C)C
InChIInChI=1S/C16H26N2/c1-12-8-9-13(11-14(12)18(4)5)17-15-7-6-10-16(15,2)3/h8-9,11,15,17H,6-7,10H2,1-5H3
InChIKeyYEHYEPNELDFNGR-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
CID 102731527
N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
CID 79834976
N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
CID 79860663
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
3-N,3-N,4-trimethyl-1-N-(3-methylcyclobutyl)benzene-1,3-diamine
CID 103562221
N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
CID 79860294
N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 79860507
2-amino-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872672
1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297656
3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide
CID 79860799

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 113297673) is 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(NC2CCCC2(C)C)cc1N(C)C.
What is the InChIKey of 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is YEHYEPNELDFNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-8-9-13(11-14(12)18(4)5)17-15-7-6-10-16(15,2)3/h8-9,11,15,17H,6-7,10H2,1-5H3.
What are the key properties of 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 113297673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).