(2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine

C8H14BrN — CID 89286512

IUPAC(2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine
SMILESC=C(Br)/C=C(\C)N(C)CC
InChIInChI=1S/C8H14BrN/c1-5-10(4)8(3)6-7(2)9/h6H,2,5H2,1,3-4H3/b8-6+
InChIKeyNYTXVCYNHIGDCP-SOFGYWHQSA-N
MW204.11 g/mol
LogP2.75
Rot. Bonds3

About (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine

(2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine (PubChem CID 89286512) has the molecular formula C8H14BrN and a molecular weight of 204.11 g/mol. Its IUPAC name is (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine
PubChem CID89286512
Molecular FormulaC8H14BrN
Molecular Weight204.11 g/mol
Exact Mass203.03
IUPAC Name(2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine
SMILESC=C(Br)/C=C(\C)N(C)CC
InChIInChI=1S/C8H14BrN/c1-5-10(4)8(3)6-7(2)9/h6H,2,5H2,1,3-4H3/b8-6+
InChIKeyNYTXVCYNHIGDCP-SOFGYWHQSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-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

Frequently Asked Questions

What is the IUPAC name of (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine (CID 89286512) is (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine is C=C(Br)/C=C(\C)N(C)CC.
What is the InChIKey of (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine?
The InChIKey is NYTXVCYNHIGDCP-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14BrN/c1-5-10(4)8(3)6-7(2)9/h6H,2,5H2,1,3-4H3/b8-6+.
What are the key properties of (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine?
(2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine has a molecular weight of 204.11 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-bromo-N-ethyl-N-methylpenta-2,4-dien-2-amine is sourced from PubChem (CID 89286512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).