(3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine

C13H23N — CID 129213211

IUPAC(3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/C=C\CCC)C(C)(C)C
InChIInChI=1S/C13H23N/c1-6-8-9-10-11(12(14)7-2)13(3,4)5/h7,9-10H,2,6,8,14H2,1,3-5H3/b10-9-,12-11+
InChIKeyJXZBVVGYYCYQSA-XAZJVICWSA-N
MW193.33 g/mol
LogP3.79
Rot. Bonds4

About (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine

(3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine (PubChem CID 129213211) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine
PubChem CID129213211
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(/C=C\CCC)C(C)(C)C
InChIInChI=1S/C13H23N/c1-6-8-9-10-11(12(14)7-2)13(3,4)5/h7,9-10H,2,6,8,14H2,1,3-5H3/b10-9-,12-11+
InChIKeyJXZBVVGYYCYQSA-XAZJVICWSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-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,5Z)-4-tert-butylnona-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine (CID 129213211) is (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine is C=C/C(N)=C(/C=C\CCC)C(C)(C)C.
What is the InChIKey of (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine?
The InChIKey is JXZBVVGYYCYQSA-XAZJVICWSA-N. The full InChI is InChI=1S/C13H23N/c1-6-8-9-10-11(12(14)7-2)13(3,4)5/h7,9-10H,2,6,8,14H2,1,3-5H3/b10-9-,12-11+.
What are the key properties of (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine?
(3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine has a molecular weight of 193.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine is sourced from PubChem (CID 129213211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).