3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine

C13H21N3 — CID 82733670

IUPAC3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
SMILESCCc1cccnc1CNC1CCC(N)C1
InChIInChI=1S/C13H21N3/c1-2-10-4-3-7-15-13(10)9-16-12-6-5-11(14)8-12/h3-4,7,11-12,16H,2,5-6,8-9,14H2,1H3
InChIKeyVEFWLSBHRSBEOW-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.61
Rot. Bonds4

About 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine

3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine (PubChem CID 82733670) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
PubChem CID82733670
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
SMILESCCc1cccnc1CNC1CCC(N)C1
InChIInChI=1S/C13H21N3/c1-2-10-4-3-7-15-13(10)9-16-12-6-5-11(14)8-12/h3-4,7,11-12,16H,2,5-6,8-9,14H2,1H3
InChIKeyVEFWLSBHRSBEOW-UHFFFAOYSA-N
XLogP1.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 82733186
N-[(3-ethyl-2-pyridinyl)methyl]-2-methyloxan-4-amine
CID 82731940
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 79462015
N-[(3-ethyl-2-pyridinyl)methyl]oxetan-3-amine
CID 82732740
N-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 82731912
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82733889
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 82731725
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
N-[(3-ethyl-2-pyridinyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 82733626
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 113483486

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine (CID 82733670) is 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine is CCc1cccnc1CNC1CCC(N)C1.
What is the InChIKey of 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine?
The InChIKey is VEFWLSBHRSBEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-10-4-3-7-15-13(10)9-16-12-6-5-11(14)8-12/h3-4,7,11-12,16H,2,5-6,8-9,14H2,1H3.
What are the key properties of 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine?
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 82733670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).