2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride

C14H23ClN2 — CID 115611231

IUPAC2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
SMILESCc1ncccc1CNCCC1CCCC1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-12-14(7-4-9-16-12)11-15-10-8-13-5-2-3-6-13;/h4,7,9,13,15H,2-3,5-6,8,10-11H2,1H3;1H
InChIKeyWOTMBIMLZONGDF-UHFFFAOYSA-N
MW254.80 g/mol
LogP3.48
Rot. Bonds5

About 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride

2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride (PubChem CID 115611231) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
PubChem CID115611231
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
SMILESCc1ncccc1CNCCC1CCCC1.Cl
InChIInChI=1S/C14H22N2.ClH/c1-12-14(7-4-9-16-12)11-15-10-8-13-5-2-3-6-13;/h4,7,9,13,15H,2-3,5-6,8,10-11H2,1H3;1H
InChIKeyWOTMBIMLZONGDF-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile
CID 62893680
2-cyclohexyl-N-[(2-trimethylsilylphenyl)methyl]ethanamine;hydrochloride
CID 156624699
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride
CID 115611314
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515582
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
N-[(2-chlorophenyl)methyl]-2-cyclobutylethanamine
CID 115690120
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-3-pyridinyl)methanamine
CID 115757819
[1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114758
2-(2-methylpropoxy)-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611278
2-methyl-N-[(2-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 130552141

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride (CID 115611231) is 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride is Cc1ncccc1CNCCC1CCCC1.Cl.
What is the InChIKey of 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
The InChIKey is WOTMBIMLZONGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.ClH/c1-12-14(7-4-9-16-12)11-15-10-8-13-5-2-3-6-13;/h4,7,9,13,15H,2-3,5-6,8,10-11H2,1H3;1H.
What are the key properties of 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride?
2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride has a molecular weight of 254.80 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 115611231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).