(1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine

C11H14N2 — CID 166830053

IUPAC(1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine
SMILESC/C=C\C(=C/N)c1ncccc1C
InChIInChI=1S/C11H14N2/c1-3-5-10(8-12)11-9(2)6-4-7-13-11/h3-8H,12H2,1-2H3/b5-3-,10-8+
InChIKeyWBTLFGRXLCTSGN-WEZLDLNLSA-N
MW174.25 g/mol
LogP2.27
Rot. Bonds2

About (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine

(1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine (PubChem CID 166830053) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine
PubChem CID166830053
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine
SMILESC/C=C\C(=C/N)c1ncccc1C
InChIInChI=1S/C11H14N2/c1-3-5-10(8-12)11-9(2)6-4-7-13-11/h3-8H,12H2,1-2H3/b5-3-,10-8+
InChIKeyWBTLFGRXLCTSGN-WEZLDLNLSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238
N'-amino-3-methylpyridine-2-carboximidamide
CID 69377303
O-(3-methyl-2-pyridinyl)hydroxylamine
CID 79422028
2-(3-chlorobut-2-en-2-yl)-3-methylpyridine
CID 123781383
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
O-methyl 3-methylpyridine-2-carbothioate
CID 139794295
1-(3-methyl-2-pyridinyl)ethanimine
CID 91362757
ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
CID 53419388
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
2,3-dimethylpyridine;formamide;hydrate
CID 175110807
ethyl 3-hydroxy-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 170923978

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine (CID 166830053) is (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine is C/C=C\C(=C/N)c1ncccc1C.
What is the InChIKey of (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine?
The InChIKey is WBTLFGRXLCTSGN-WEZLDLNLSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-5-10(8-12)11-9(2)6-4-7-13-11/h3-8H,12H2,1-2H3/b5-3-,10-8+.
What are the key properties of (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine?
(1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine has a molecular weight of 174.25 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 166830053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).