(3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine

C11H18N2 — CID 157043832

IUPAC(3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine
SMILESC=C/C(=C\C=N\C)N(C)/C(C)=C/C
InChIInChI=1S/C11H18N2/c1-6-10(3)13(5)11(7-2)8-9-12-4/h6-9H,2H2,1,3-5H3/b10-6+,11-8+,12-9+
InChIKeyBUJVIBUGASPIQA-NEGBKJGASA-N
MW178.28 g/mol
LogP2.61
Rot. Bonds4

About (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine

(3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine (PubChem CID 157043832) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine
PubChem CID157043832
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine
SMILESC=C/C(=C\C=N\C)N(C)/C(C)=C/C
InChIInChI=1S/C11H18N2/c1-6-10(3)13(5)11(7-2)8-9-12-4/h6-9H,2H2,1,3-5H3/b10-6+,11-8+,12-9+
InChIKeyBUJVIBUGASPIQA-NEGBKJGASA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine?
The IUPAC name of (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine (CID 157043832) is (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine.
What is the SMILES notation for (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine?
The canonical SMILES for (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine is C=C/C(=C\C=N\C)N(C)/C(C)=C/C.
What is the InChIKey of (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine?
The InChIKey is BUJVIBUGASPIQA-NEGBKJGASA-N. The full InChI is InChI=1S/C11H18N2/c1-6-10(3)13(5)11(7-2)8-9-12-4/h6-9H,2H2,1,3-5H3/b10-6+,11-8+,12-9+.
What are the key properties of (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine?
(3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine has a molecular weight of 178.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(E)-but-2-en-2-yl]-N-methyl-5-methyliminopenta-1,3-dien-3-amine is sourced from PubChem (CID 157043832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).