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

C12H18N2 — CID 79178920

IUPACN-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1cccnc1
InChIInChI=1S/C12H18N2/c1-4-14-12(8-10(2)3)11-6-5-7-13-9-11/h5-7,9,12,14H,2,4,8H2,1,3H3
InChIKeyIILUWYLQNUJDFL-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.70
Rot. Bonds5

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

N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine (PubChem CID 79178920) 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-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
PubChem CID79178920
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)c1cccnc1
InChIInChI=1S/C12H18N2/c1-4-14-12(8-10(2)3)11-6-5-7-13-9-11/h5-7,9,12,14H,2,4,8H2,1,3H3
InChIKeyIILUWYLQNUJDFL-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

(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 130868428
(1R)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine;hydrochloride
CID 171201516
N-ethyl-3-methoxy-1-pyridin-3-ylpropan-1-amine
CID 61412717
N-ethyl-3-methyl-1-pyridin-3-ylbut-2-en-1-amine
CID 79190171
N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine
CID 79178919
N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
CID 105098484
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
N-ethyl-3-methyl-1-quinolin-8-ylbut-3-en-1-amine
CID 105163061
N-ethyl-2-(5-methyl-2-pyridinyl)-1-pyridin-3-ylethanamine
CID 66447908
methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
CID 66047112
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235826

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine (CID 79178920) is N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine is C=C(C)CC(NCC)c1cccnc1.
What is the InChIKey of N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine?
The InChIKey is IILUWYLQNUJDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-14-12(8-10(2)3)11-6-5-7-13-9-11/h5-7,9,12,14H,2,4,8H2,1,3H3.
What are the key properties of N-ethyl-3-methyl-1-pyridin-3-ylbut-3-en-1-amine?
N-ethyl-3-methyl-1-pyridin-3-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-3-ylbut-3-en-1-amine is sourced from PubChem (CID 79178920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).