N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine

C12H18N2 — CID 79178919

IUPACN-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1ccccn1
InChIInChI=1S/C12H18N2/c1-4-13-12(9-10(2)3)11-7-5-6-8-14-11/h5-8,12-13H,2,4,9H2,1,3H3
InChIKeyPUICBBJZWAKJGL-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine

N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine (PubChem CID 79178919) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine
PubChem CID79178919
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1ccccn1
InChIInChI=1S/C12H18N2/c1-4-13-12(9-10(2)3)11-7-5-6-8-14-11/h5-8,12-13H,2,4,9H2,1,3H3
InChIKeyPUICBBJZWAKJGL-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine
CID 79185322
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
N-ethyl-5-methyl-1-pyridin-2-ylhexan-1-amine
CID 83161018
N-ethyl-4,4-dimethyl-1-pyridin-2-ylpentan-1-amine
CID 62602048
N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
CID 105163061
2-cyclopropyl-N-ethyl-1-pyridin-2-ylethanamine
CID 64905890
N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 79178920
2-(2,6-dichlorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 62602818
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655
3-methyl-N-propyl-1-quinoxalin-2-ylbut-3-en-1-amine
CID 107357266
N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474759

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine (CID 79178919) is N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine is C=C(C)CC(NCC)c1ccccn1.
What is the InChIKey of N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine?
The InChIKey is PUICBBJZWAKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-13-12(9-10(2)3)11-7-5-6-8-14-11/h5-8,12-13H,2,4,9H2,1,3H3.
What are the key properties of N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine?
N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine is sourced from PubChem (CID 79178919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).