1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine

C16H26N2 — CID 115117654

IUPAC1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine
SMILESCc1ccc(CCN(C)C2CCCC2N)cc1C
InChIInChI=1S/C16H26N2/c1-12-7-8-14(11-13(12)2)9-10-18(3)16-6-4-5-15(16)17/h7-8,11,15-16H,4-6,9-10,17H2,1-3H3
InChIKeyUTKDJUIHNCSJJE-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.66
Rot. Bonds4

About 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine

1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine (PubChem CID 115117654) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine
PubChem CID115117654
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine
SMILESCc1ccc(CCN(C)C2CCCC2N)cc1C
InChIInChI=1S/C16H26N2/c1-12-7-8-14(11-13(12)2)9-10-18(3)16-6-4-5-15(16)17/h7-8,11,15-16H,4-6,9-10,17H2,1-3H3
InChIKeyUTKDJUIHNCSJJE-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118118
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118030
1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
CID 115117233
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
CID 102639798
2-[(3,4-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81015021

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine (CID 115117654) is 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine is Cc1ccc(CCN(C)C2CCCC2N)cc1C.
What is the InChIKey of 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine?
The InChIKey is UTKDJUIHNCSJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-7-8-14(11-13(12)2)9-10-18(3)16-6-4-5-15(16)17/h7-8,11,15-16H,4-6,9-10,17H2,1-3H3.
What are the key properties of 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine?
1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine is sourced from PubChem (CID 115117654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).