(Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine

C12H17N3 — CID 167055590

IUPAC(Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine
SMILESC=N/C=C(/c1cccnc1C)C(C)(C)N
InChIInChI=1S/C12H17N3/c1-9-10(6-5-7-15-9)11(8-14-4)12(2,3)13/h5-8H,4,13H2,1-3H3/b11-8-
InChIKeyUHGHVVHEFKEHOL-FLIBITNWSA-N
MW203.29 g/mol
LogP2.17
Rot. Bonds3

About (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine

(Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine (PubChem CID 167055590) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine.

Molecular Properties

Compound Name(Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine
PubChem CID167055590
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine
SMILESC=N/C=C(/c1cccnc1C)C(C)(C)N
InChIInChI=1S/C12H17N3/c1-9-10(6-5-7-15-9)11(8-14-4)12(2,3)13/h5-8H,4,13H2,1-3H3/b11-8-
InChIKeyUHGHVVHEFKEHOL-FLIBITNWSA-N
XLogP2.17
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-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

2,2-dimethyl-1-(2-methyl-3-pyridinyl)propan-1-one
CID 20585684
N'-cyano-2-methylpyridine-3-carboximidamide
CID 142179996
2-(2-methyl-3-pyridinyl)penta-1,4-dien-3-imine
CID 142523864
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
(Z)-2-(2-methyl-3-pyridinyl)pent-1-en-1-amine
CID 142342701
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
N-methoxy-2-methylpyridine-3-carboxamide
CID 78950808
2-(2-methyl-3-pyridinyl)propan-2-ol
CID 45091732
methyl 2-methylpyridine-3-carboxylate
CID 7015327
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
O-methyl 2-methylpyridine-3-carbothioate
CID 54538042

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine?
The IUPAC name of (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine (CID 167055590) is (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine.
What is the SMILES notation for (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine?
The canonical SMILES for (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine is C=N/C=C(/c1cccnc1C)C(C)(C)N.
What is the InChIKey of (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine?
The InChIKey is UHGHVVHEFKEHOL-FLIBITNWSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-10(6-5-7-15-9)11(8-14-4)12(2,3)13/h5-8H,4,13H2,1-3H3/b11-8-.
What are the key properties of (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine?
(Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(methylideneamino)-3-(2-methyl-3-pyridinyl)but-3-en-2-amine is sourced from PubChem (CID 167055590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).