N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine

C13H18N2O — CID 106177618

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine
SMILESCOc1cc(NCCC2=CCCC2)ccn1
InChIInChI=1S/C13H18N2O/c1-16-13-10-12(7-9-15-13)14-8-6-11-4-2-3-5-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15)
InChIKeyYBRCQMRAOPMCPY-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine

N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine (PubChem CID 106177618) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine
PubChem CID106177618
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine
SMILESCOc1cc(NCCC2=CCCC2)ccn1
InChIInChI=1S/C13H18N2O/c1-16-13-10-12(7-9-15-13)14-8-6-11-4-2-3-5-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15)
InChIKeyYBRCQMRAOPMCPY-UHFFFAOYSA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.00
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

2-chloro-N-[2-(cyclopenten-1-yl)ethyl]pyridin-4-amine
CID 103844205
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109205585
N-(5-chloro-2-methoxyphenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205615
4-[2-(cyclohexen-1-yl)ethylamino]-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109205625
1-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111209549
N-[2-(cyclopenten-1-yl)ethyl]-4-methylpyrimidin-2-amine
CID 103844256
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
N'-(2-methoxy-4-pyridinyl)pentane-1,5-diamine
CID 107323427
4-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopentylpyridine-2-carboxamide
CID 109203991
4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 106166400
4-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109205591
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine (CID 106177618) is N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine is COc1cc(NCCC2=CCCC2)ccn1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine?
The InChIKey is YBRCQMRAOPMCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-13-10-12(7-9-15-13)14-8-6-11-4-2-3-5-11/h4,7,9-10H,2-3,5-6,8H2,1H3,(H,14,15).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine?
N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine has a molecular weight of 218.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2-methoxypyridin-4-amine is sourced from PubChem (CID 106177618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).