4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride

C12H21ClN2O — CID 115584514

IUPAC4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
SMILESCCOCCCCNCc1cccnc1.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-2-15-9-4-3-7-13-10-12-6-5-8-14-11-12;/h5-6,8,11,13H,2-4,7,9-10H2,1H3;1H
InChIKeyAIYWLPYOYDMLIZ-UHFFFAOYSA-N
MW244.77 g/mol
LogP2.41
Rot. Bonds8

About 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride

4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride (PubChem CID 115584514) has the molecular formula C12H21ClN2O and a molecular weight of 244.77 g/mol. Its IUPAC name is 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
PubChem CID115584514
Molecular FormulaC12H21ClN2O
Molecular Weight244.77 g/mol
Exact Mass244.13
IUPAC Name4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
SMILESCCOCCCCNCc1cccnc1.Cl
InChIInChI=1S/C12H20N2O.ClH/c1-2-15-9-4-3-7-13-10-12-6-5-8-14-11-12;/h5-6,8,11,13H,2-4,7,9-10H2,1H3;1H
InChIKeyAIYWLPYOYDMLIZ-UHFFFAOYSA-N
XLogP2.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 17331176
N-(pyridin-3-ylmethyl)heptan-1-amine
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CID 104561604
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560243
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28671888
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
CID 115584501
3-(furan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28681171
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride?
The IUPAC name of 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride (CID 115584514) is 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride?
The canonical SMILES for 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride is CCOCCCCNCc1cccnc1.Cl.
What is the InChIKey of 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride?
The InChIKey is AIYWLPYOYDMLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.ClH/c1-2-15-9-4-3-7-13-10-12-6-5-8-14-11-12;/h5-6,8,11,13H,2-4,7,9-10H2,1H3;1H.
What are the key properties of 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride?
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride has a molecular weight of 244.77 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 115584514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).