(E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine

C10H16N2 — CID 142777641

IUPAC(E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine
SMILESCC1(/C=C/CCN)C=CC=NC1
InChIInChI=1S/C10H16N2/c1-10(5-2-3-7-11)6-4-8-12-9-10/h2,4-6,8H,3,7,9,11H2,1H3/b5-2+
InChIKeyOJXZTGUWFGSSSD-GORDUTHDSA-N
MW164.25 g/mol
LogP1.54
Rot. Bonds3

About (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine

(E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine (PubChem CID 142777641) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine
PubChem CID142777641
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine
SMILESCC1(/C=C/CCN)C=CC=NC1
InChIInChI=1S/C10H16N2/c1-10(5-2-3-7-11)6-4-8-12-9-10/h2,4-6,8H,3,7,9,11H2,1H3/b5-2+
InChIKeyOJXZTGUWFGSSSD-GORDUTHDSA-N
XLogP1.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.54
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

2,3-Dihydropyridin-2-amine
CID 18669108
3-tert-butyl-3-methyl-2H-pyridin-2-amine
CID 69084191
(3-methyl-2H-pyridin-3-yl)methanamine
CID 89199498
(Z)-N-ethyl-4,4-dimethylpent-2-en-1-imine
CID 89211425
3,3-dimethyl-2H-pyridin-2-amine
CID 90876913
[[(2E)-hepta-2,5-dienylidene]amino]methanamine
CID 91299929
3-(Hept-2-enylideneamino)propan-1-amine
CID 123193439
(7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine
CID 123352256
5,5-dimethyl-2H-azocin-1-ium bromide
CID 123361503
3-Methyl-2,3-dihydropyridin-2-amine
CID 124028194
(Z)-3-[(Z)-4,4-dimethylpent-2-en-3-yl]iminoprop-1-en-1-amine
CID 126672489
2,3-Dihydropyridine;methanamine
CID 141805727

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine?
The IUPAC name of (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine (CID 142777641) is (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine.
What is the SMILES notation for (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine?
The canonical SMILES for (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine is CC1(/C=C/CCN)C=CC=NC1.
What is the InChIKey of (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine?
The InChIKey is OJXZTGUWFGSSSD-GORDUTHDSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(5-2-3-7-11)6-4-8-12-9-10/h2,4-6,8H,3,7,9,11H2,1H3/b5-2+.
What are the key properties of (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine?
(E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-methyl-2H-pyridin-3-yl)but-3-en-1-amine is sourced from PubChem (CID 142777641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).