1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine

C13H21N3 — CID 60912856

IUPAC1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
SMILESCN(CCc1ccncc1)C1CCCC1N
InChIInChI=1S/C13H21N3/c1-16(13-4-2-3-12(13)14)10-7-11-5-8-15-9-6-11/h5-6,8-9,12-13H,2-4,7,10,14H2,1H3
InChIKeyNAMIGDJXKUZJNJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.44
Rot. Bonds4

About 1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine

1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine (PubChem CID 60912856) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
PubChem CID60912856
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
SMILESCN(CCc1ccncc1)C1CCCC1N
InChIInChI=1S/C13H21N3/c1-16(13-4-2-3-12(13)14)10-7-11-5-8-15-9-6-11/h5-6,8-9,12-13H,2-4,7,10,14H2,1H3
InChIKeyNAMIGDJXKUZJNJ-UHFFFAOYSA-N
XLogP1.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118118
3-N-methyl-1,1-dioxo-3-N-(2-pyridin-4-ylethyl)thiolane-3,4-diamine
CID 62694024
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine
CID 115117654
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
1-N,2-N,3,3-tetramethyl-1-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
CID 79828998
2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 61451044
1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
CID 115117233
2,2-dimethyl-6-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclohexan-1-amine
CID 79853439
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615408
N-methyl-2-[(2-methylpropylamino)methyl]-N-(2-pyridin-4-ylethyl)cyclobutan-1-amine
CID 80997953

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine (CID 60912856) is 1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine is CN(CCc1ccncc1)C1CCCC1N.
What is the InChIKey of 1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine?
The InChIKey is NAMIGDJXKUZJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16(13-4-2-3-12(13)14)10-7-11-5-8-15-9-6-11/h5-6,8-9,12-13H,2-4,7,10,14H2,1H3.
What are the key properties of 1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine?
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.44, 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-pyridin-4-ylethyl)cyclopentane-1,2-diamine is sourced from PubChem (CID 60912856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).