(E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine

C14H27N — CID 11820413

IUPAC(E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine
SMILESCCC/C=C/CN(C=C(C)C)CC(C)C
InChIInChI=1S/C14H27N/c1-6-7-8-9-10-15(11-13(2)3)12-14(4)5/h8-9,11,14H,6-7,10,12H2,1-5H3/b9-8+
InChIKeyUIGXLZLDYXVNPP-CMDGGOBGSA-N
MW209.38 g/mol
LogP4.22
Rot. Bonds7

About (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine

(E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine (PubChem CID 11820413) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine
PubChem CID11820413
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine
SMILESCCC/C=C/CN(C=C(C)C)CC(C)C
InChIInChI=1S/C14H27N/c1-6-7-8-9-10-15(11-13(2)3)12-14(4)5/h8-9,11,14H,6-7,10,12H2,1-5H3/b9-8+
InChIKeyUIGXLZLDYXVNPP-CMDGGOBGSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-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 (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine?
The IUPAC name of (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine (CID 11820413) is (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine.
What is the SMILES notation for (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine?
The canonical SMILES for (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine is CCC/C=C/CN(C=C(C)C)CC(C)C.
What is the InChIKey of (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine?
The InChIKey is UIGXLZLDYXVNPP-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H27N/c1-6-7-8-9-10-15(11-13(2)3)12-14(4)5/h8-9,11,14H,6-7,10,12H2,1-5H3/b9-8+.
What are the key properties of (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine?
(E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylprop-1-enyl)-N-(2-methylpropyl)hex-2-en-1-amine is sourced from PubChem (CID 11820413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).