(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine

C12H23N — CID 174193484

IUPAC(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine
SMILESC=C/C=C(\CC(C)CC)C(C)NC
InChIInChI=1S/C12H23N/c1-6-8-12(11(4)13-5)9-10(3)7-2/h6,8,10-11,13H,1,7,9H2,2-5H3/b12-8+
InChIKeyRYFJMINKIHLXCD-XYOKQWHBSA-N
MW181.32 g/mol
LogP3.14
Rot. Bonds6

About (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine

(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine (PubChem CID 174193484) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine.

Molecular Properties

Compound Name(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine
PubChem CID174193484
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine
SMILESC=C/C=C(\CC(C)CC)C(C)NC
InChIInChI=1S/C12H23N/c1-6-8-12(11(4)13-5)9-10(3)7-2/h6,8,10-11,13H,1,7,9H2,2-5H3/b12-8+
InChIKeyRYFJMINKIHLXCD-XYOKQWHBSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-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 (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine?
The IUPAC name of (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine (CID 174193484) is (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine.
What is the SMILES notation for (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine?
The canonical SMILES for (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine is C=C/C=C(\CC(C)CC)C(C)NC.
What is the InChIKey of (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine?
The InChIKey is RYFJMINKIHLXCD-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-12(11(4)13-5)9-10(3)7-2/h6,8,10-11,13H,1,7,9H2,2-5H3/b12-8+.
What are the key properties of (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine?
(3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,5-dimethyl-3-prop-2-enylideneheptan-2-amine is sourced from PubChem (CID 174193484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).