1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine

C13H18N2 — CID 82729620

IUPAC1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)c1ncccc1CC
InChIInChI=1S/C13H18N2/c1-4-6-9-12(14-3)13-11(5-2)8-7-10-15-13/h7-8,10,12,14H,5,9H2,1-3H3
InChIKeyUAOHDSSSORXUGL-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.32
Rot. Bonds4

About 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine

1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine (PubChem CID 82729620) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine
PubChem CID82729620
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine
SMILESCC#CCC(NC)c1ncccc1CC
InChIInChI=1S/C13H18N2/c1-4-6-9-12(14-3)13-11(5-2)8-7-10-15-13/h7-8,10,12,14H,5,9H2,1-3H3
InChIKeyUAOHDSSSORXUGL-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3-methyl-2-pyridinyl)pent-3-yn-1-amine
CID 62312186
2-cyclobutyl-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
CID 82729632
1-(3-ethyl-2-pyridinyl)-2-(furan-2-yl)-N-methylethanamine
CID 83182583
1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol
CID 104804228
1-(3-ethyl-2-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103036007
2-(2,4-difluorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylethanamine
CID 82730771
1-(3-ethyl-2-pyridinyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 82732475
1-(3-bromo-2-pyridinyl)-N-methylhex-4-yn-1-amine
CID 104807472
1-(3-ethyl-2-pyridinyl)-N,2-dimethylprop-2-en-1-amine
CID 82730525
1-(3-ethyl-2-pyridinyl)-N-propylpent-4-yn-1-amine
CID 82741096
[1-(3-ethyl-2-pyridinyl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105263790
1-(3-ethyl-2-pyridinyl)-5,5-dimethylhex-3-yn-1-amine
CID 114190337

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine (CID 82729620) is 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine is CC#CCC(NC)c1ncccc1CC.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine?
The InChIKey is UAOHDSSSORXUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-6-9-12(14-3)13-11(5-2)8-7-10-15-13/h7-8,10,12,14H,5,9H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine?
1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-N-methylpent-3-yn-1-amine is sourced from PubChem (CID 82729620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).