4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine

C14H21N3 — CID 79207735

IUPAC4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCN(CCc1ccccn1)CC1C=CC(N)C1
InChIInChI=1S/C14H21N3/c1-17(11-12-5-6-13(15)10-12)9-7-14-4-2-3-8-16-14/h2-6,8,12-13H,7,9-11,15H2,1H3
InChIKeyHDDCNMDCMZYOJE-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.46
Rot. Bonds5

About 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine

4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79207735) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79207735
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCN(CCc1ccccn1)CC1C=CC(N)C1
InChIInChI=1S/C14H21N3/c1-17(11-12-5-6-13(15)10-12)9-7-14-4-2-3-8-16-14/h2-6,8,12-13H,7,9-11,15H2,1H3
InChIKeyHDDCNMDCMZYOJE-UHFFFAOYSA-N
XLogP1.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 65479518
N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]-2-pyridin-2-ylethanamine
CID 79385131
2,2-dimethyl-5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-ol
CID 79856114
N-methyl-2-pyridin-2-yl-N-(1,3-thiazolidin-4-ylmethyl)ethanamine
CID 43199847
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 114430704
2-methyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-amine
CID 82768381
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
4-methyl-4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]oxolan-3-amine
CID 66264619
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine (CID 79207735) is 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine is CN(CCc1ccccn1)CC1C=CC(N)C1.
What is the InChIKey of 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is HDDCNMDCMZYOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-17(11-12-5-6-13(15)10-12)9-7-14-4-2-3-8-16-14/h2-6,8,12-13H,7,9-11,15H2,1H3.
What are the key properties of 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 231.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).