(3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine

C16H29N — CID 126713798

IUPAC(3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine
SMILESCC/C=C(C)/C=C\C(C)(CNC)C(C)=C(C)C
InChIInChI=1S/C16H29N/c1-8-9-14(4)10-11-16(6,12-17-7)15(5)13(2)3/h9-11,17H,8,12H2,1-7H3/b11-10-,14-9+
InChIKeyMIEQEQDFFYEXBZ-YYUCOLILSA-N
MW235.41 g/mol
LogP4.48
Rot. Bonds6

About (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine

(3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine (PubChem CID 126713798) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine
PubChem CID126713798
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine
SMILESCC/C=C(C)/C=C\C(C)(CNC)C(C)=C(C)C
InChIInChI=1S/C16H29N/c1-8-9-14(4)10-11-16(6,12-17-7)15(5)13(2)3/h9-11,17H,8,12H2,1-7H3/b11-10-,14-9+
InChIKeyMIEQEQDFFYEXBZ-YYUCOLILSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.48
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 (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-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 (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine (CID 126713798) is (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine is CC/C=C(C)/C=C\C(C)(CNC)C(C)=C(C)C.
What is the InChIKey of (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine?
The InChIKey is MIEQEQDFFYEXBZ-YYUCOLILSA-N. The full InChI is InChI=1S/C16H29N/c1-8-9-14(4)10-11-16(6,12-17-7)15(5)13(2)3/h9-11,17H,8,12H2,1-7H3/b11-10-,14-9+.
What are the key properties of (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine?
(3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N,2,5-trimethyl-2-(3-methylbut-2-en-2-yl)octa-3,5-dien-1-amine is sourced from PubChem (CID 126713798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).