1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine

C12H20N2S — CID 79486799

IUPAC1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
SMILESCN(CCc1cccs1)C1CCCC1N
InChIInChI=1S/C12H20N2S/c1-14(12-6-2-5-11(12)13)8-7-10-4-3-9-15-10/h3-4,9,11-12H,2,5-8,13H2,1H3
InChIKeyYWPKZRLXFRBMGH-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.10
Rot. Bonds4

About 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine

1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine (PubChem CID 79486799) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
PubChem CID79486799
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
SMILESCN(CCc1cccs1)C1CCCC1N
InChIInChI=1S/C12H20N2S/c1-14(12-6-2-5-11(12)13)8-7-10-4-3-9-15-10/h3-4,9,11-12H,2,5-8,13H2,1H3
InChIKeyYWPKZRLXFRBMGH-UHFFFAOYSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine
CID 54946732
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 113483797
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
CID 114762644
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118118
1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine
CID 115117654
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine (CID 79486799) is 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine is CN(CCc1cccs1)C1CCCC1N.
What is the InChIKey of 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine?
The InChIKey is YWPKZRLXFRBMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-14(12-6-2-5-11(12)13)8-7-10-4-3-9-15-10/h3-4,9,11-12H,2,5-8,13H2,1H3.
What are the key properties of 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine?
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine has a molecular weight of 224.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 79486799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).