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

C12H18N2 — CID 79190171

IUPACN-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)c1cccnc1
InChIInChI=1S/C12H18N2/c1-4-14-12(8-10(2)3)11-6-5-7-13-9-11/h5-9,12,14H,4H2,1-3H3
InChIKeyARQFNQPZWYVYPS-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.70
Rot. Bonds4

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

N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine (PubChem CID 79190171) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine
PubChem CID79190171
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine
SMILESCCNC(C=C(C)C)c1cccnc1
InChIInChI=1S/C12H18N2/c1-4-14-12(8-10(2)3)11-6-5-7-13-9-11/h5-9,12,14H,4H2,1-3H3
InChIKeyARQFNQPZWYVYPS-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-pyridin-3-ylbut-3-en-1-amine
CID 79178920
3-methyl-N-propyl-1-pyridazin-4-ylbut-2-en-1-amine
CID 105163351
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine
CID 79190966
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
N-ethyl-1-(4-fluoro-3-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190181
N-ethyl-3-methoxy-1-pyridin-3-ylpropan-1-amine
CID 61412717
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300
N-ethyl-2-methoxy-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 79198385
N-ethyl-2-(5-methyl-2-pyridinyl)-1-pyridin-3-ylethanamine
CID 66447908
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine (CID 79190171) is N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine is CCNC(C=C(C)C)c1cccnc1.
What is the InChIKey of N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine?
The InChIKey is ARQFNQPZWYVYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-14-12(8-10(2)3)11-6-5-7-13-9-11/h5-9,12,14H,4H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine?
N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.70, 4 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-3-ylbut-2-en-1-amine is sourced from PubChem (CID 79190171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).