N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine

C13H18N2 — CID 114497923

IUPACN-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine
SMILESCCNCC#CCc1ccc(CC)cn1
InChIInChI=1S/C13H18N2/c1-3-12-8-9-13(15-11-12)7-5-6-10-14-4-2/h8-9,11,14H,3-4,7,10H2,1-2H3
InChIKeyONPIZUXZZWAMKN-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.80
Rot. Bonds4

About N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine

N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine (PubChem CID 114497923) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine
PubChem CID114497923
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine
SMILESCCNCC#CCc1ccc(CC)cn1
InChIInChI=1S/C13H18N2/c1-3-12-8-9-13(15-11-12)7-5-6-10-14-4-2/h8-9,11,14H,3-4,7,10H2,1-2H3
InChIKeyONPIZUXZZWAMKN-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 116566003
N-[[4-[(5-ethyl-2-pyridinyl)methyl]-3-methylphenyl]methyl]ethanamine
CID 79740597
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
2-ethyl-5-propylpyridine
CID 23544341
N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79739974
1-[(5-ethyl-2-pyridinyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 79745795
2-(5-ethyl-2-pyridinyl)ethanamine;hydrochloride
CID 76847658
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine?
The IUPAC name of N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine (CID 114497923) is N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine.
What is the SMILES notation for N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine?
The canonical SMILES for N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine is CCNCC#CCc1ccc(CC)cn1.
What is the InChIKey of N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine?
The InChIKey is ONPIZUXZZWAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-12-8-9-13(15-11-12)7-5-6-10-14-4-2/h8-9,11,14H,3-4,7,10H2,1-2H3.
What are the key properties of N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine?
N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine has a molecular weight of 202.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-ethyl-2-pyridinyl)but-2-yn-1-amine is sourced from PubChem (CID 114497923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).