(2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine

C12H23NO — CID 88576699

IUPAC(2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)NCCC)OCC(C)C
InChIInChI=1S/C12H23NO/c1-6-7-13-11(4)8-12(5)14-9-10(2)3/h8,10,13H,5-7,9H2,1-4H3/b11-8+
InChIKeyGHJUARRPQCHYGF-DHZHZOJOSA-N
MW197.32 g/mol
LogP3.08
Rot. Bonds7

About (2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine

(2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine (PubChem CID 88576699) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine
PubChem CID88576699
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)NCCC)OCC(C)C
InChIInChI=1S/C12H23NO/c1-6-7-13-11(4)8-12(5)14-9-10(2)3/h8,10,13H,5-7,9H2,1-4H3/b11-8+
InChIKeyGHJUARRPQCHYGF-DHZHZOJOSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-4-(2-methylpropoxy)-N-propylpenta-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-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine (CID 88576699) is (2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine is C=C(/C=C(\C)NCCC)OCC(C)C.
What is the InChIKey of (2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine?
The InChIKey is GHJUARRPQCHYGF-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H23NO/c1-6-7-13-11(4)8-12(5)14-9-10(2)3/h8,10,13H,5-7,9H2,1-4H3/b11-8+.
What are the key properties of (2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine?
(2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine has a molecular weight of 197.32 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(2-methylpropoxy)-N-propylpenta-2,4-dien-2-amine is sourced from PubChem (CID 88576699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).