(2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine

C14H25N — CID 146656362

IUPAC(2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine
SMILESCCC(/C=C\C/C=C/C(C)C)=C(/C)NC
InChIInChI=1S/C14H25N/c1-6-14(13(4)15-5)11-9-7-8-10-12(2)3/h8-12,15H,6-7H2,1-5H3/b10-8+,11-9-,14-13+
InChIKeyISPPILGLTVFGKV-WOUCNVLMSA-N
MW207.36 g/mol
LogP4.05
Rot. Bonds6

About (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine

(2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine (PubChem CID 146656362) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine
PubChem CID146656362
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine
SMILESCCC(/C=C\C/C=C/C(C)C)=C(/C)NC
InChIInChI=1S/C14H25N/c1-6-14(13(4)15-5)11-9-7-8-10-12(2)3/h8-12,15H,6-7H2,1-5H3/b10-8+,11-9-,14-13+
InChIKeyISPPILGLTVFGKV-WOUCNVLMSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-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,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine?
The IUPAC name of (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine (CID 146656362) is (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine.
What is the SMILES notation for (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine?
The canonical SMILES for (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine is CCC(/C=C\C/C=C/C(C)C)=C(/C)NC.
What is the InChIKey of (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine?
The InChIKey is ISPPILGLTVFGKV-WOUCNVLMSA-N. The full InChI is InChI=1S/C14H25N/c1-6-14(13(4)15-5)11-9-7-8-10-12(2)3/h8-12,15H,6-7H2,1-5H3/b10-8+,11-9-,14-13+.
What are the key properties of (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine?
(2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine has a molecular weight of 207.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,7E)-3-ethyl-N,9-dimethyldeca-2,4,7-trien-2-amine is sourced from PubChem (CID 146656362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).