[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine

C13H19N3 — CID 143538926

IUPAC[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine
SMILESC=CC/C(=C\C)C/N=c1\ccccn1CN
InChIInChI=1S/C13H19N3/c1-3-7-12(4-2)10-15-13-8-5-6-9-16(13)11-14/h3-6,8-9H,1,7,10-11,14H2,2H3/b12-4+,15-13+
InChIKeyLBDNCJVHWHCKGL-DEILCNCOSA-N
MW217.32 g/mol
LogP1.83
Rot. Bonds5

About [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine

[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine (PubChem CID 143538926) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine
PubChem CID143538926
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine
SMILESC=CC/C(=C\C)C/N=c1\ccccn1CN
InChIInChI=1S/C13H19N3/c1-3-7-12(4-2)10-15-13-8-5-6-9-16(13)11-14/h3-6,8-9H,1,7,10-11,14H2,2H3/b12-4+,15-13+
InChIKeyLBDNCJVHWHCKGL-DEILCNCOSA-N
XLogP1.83
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine 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

4-tert-butyl-N,1-dimethylpyridin-2-imine
CID 59485522
N-ethenyl-5-ethyl-1-methylpyridin-2-imine
CID 89142774
1-ethenyl-N,5-dimethylpyridin-2-imine
CID 122691861
1-(2-Imino-4,5-dimethyl-1-pyridinyl)ethenamine
CID 137532728
N,1-bis(ethenyl)-5-methylpyridin-2-imine
CID 139527751
ethane;N-ethenyl-4-ethyl-1-methylpyridin-2-imine
CID 142456423
(2E,4Z)-N-ethenyl-N'-methyl-2-prop-1-en-2-ylhexa-2,4-dienimidamide
CID 142471487
1-ethenyl-5-ethyl-N-methylpyridin-2-imine
CID 142917596
ethane;(2Z,4E)-4-[(E)-2-(5-methyl-2-methylimino-1-pyridinyl)ethenyl]hexa-2,4-dien-1-amine
CID 142947862
ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane
CID 143538925
ethane;1-ethenyl-N,5-dimethylpyridin-2-imine
CID 143611239
N-methyl-6H-cyclohepta[c]pyridin-1-amine
CID 143869398

Frequently Asked Questions

What is the IUPAC name of [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine?
The IUPAC name of [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine (CID 143538926) is [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine.
What is the SMILES notation for [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine?
The canonical SMILES for [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine is C=CC/C(=C\C)C/N=c1\ccccn1CN.
What is the InChIKey of [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine?
The InChIKey is LBDNCJVHWHCKGL-DEILCNCOSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-7-12(4-2)10-15-13-8-5-6-9-16(13)11-14/h3-6,8-9H,1,7,10-11,14H2,2H3/b12-4+,15-13+.
What are the key properties of [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine?
[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine has a molecular weight of 217.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine is sourced from PubChem (CID 143538926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).