(E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine

C20H35N — CID 138474865

IUPAC(E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine
SMILESC=CN(CC(=C)C)C(/C=C/C)C(C)CC(=C)CC(C)(C)C
InChIInChI=1S/C20H35N/c1-10-12-19(21(11-2)15-16(3)4)18(6)13-17(5)14-20(7,8)9/h10-12,18-19H,2-3,5,13-15H2,1,4,6-9H3/b12-10+
InChIKeyDBPBGUZWSIPGFY-ZRDIBKRKSA-N
MW289.51 g/mol
LogP5.97
Rot. Bonds9

About (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine

(E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine (PubChem CID 138474865) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine.

Molecular Properties

Compound Name(E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine
PubChem CID138474865
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine
SMILESC=CN(CC(=C)C)C(/C=C/C)C(C)CC(=C)CC(C)(C)C
InChIInChI=1S/C20H35N/c1-10-12-19(21(11-2)15-16(3)4)18(6)13-17(5)14-20(7,8)9/h10-12,18-19H,2-3,5,13-15H2,1,4,6-9H3/b12-10+
InChIKeyDBPBGUZWSIPGFY-ZRDIBKRKSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-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-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine?
The IUPAC name of (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine (CID 138474865) is (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine.
What is the SMILES notation for (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine?
The canonical SMILES for (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine is C=CN(CC(=C)C)C(/C=C/C)C(C)CC(=C)CC(C)(C)C.
What is the InChIKey of (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine?
The InChIKey is DBPBGUZWSIPGFY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H35N/c1-10-12-19(21(11-2)15-16(3)4)18(6)13-17(5)14-20(7,8)9/h10-12,18-19H,2-3,5,13-15H2,1,4,6-9H3/b12-10+.
What are the key properties of (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine?
(E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine has a molecular weight of 289.51 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-5,9,9-trimethyl-7-methylidene-N-(2-methylprop-2-enyl)dec-2-en-4-amine is sourced from PubChem (CID 138474865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).