(3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine

C13H21N — CID 138533029

IUPAC(3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine
SMILESC=C/C=C(/C=C(\C)C(C)N)C(\C)=C/C
InChIInChI=1S/C13H21N/c1-6-8-13(10(3)7-2)9-11(4)12(5)14/h6-9,12H,1,14H2,2-5H3/b10-7-,11-9+,13-8-
InChIKeyQZKHMQFIBTYXMB-JSGGCXKPSA-N
MW191.32 g/mol
LogP3.36
Rot. Bonds4

About (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine

(3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine (PubChem CID 138533029) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine
PubChem CID138533029
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine
SMILESC=C/C=C(/C=C(\C)C(C)N)C(\C)=C/C
InChIInChI=1S/C13H21N/c1-6-8-13(10(3)7-2)9-11(4)12(5)14/h6-9,12H,1,14H2,2-5H3/b10-7-,11-9+,13-8-
InChIKeyQZKHMQFIBTYXMB-JSGGCXKPSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-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,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine?
The IUPAC name of (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine (CID 138533029) is (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine.
What is the SMILES notation for (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine?
The canonical SMILES for (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine is C=C/C=C(/C=C(\C)C(C)N)C(\C)=C/C.
What is the InChIKey of (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine?
The InChIKey is QZKHMQFIBTYXMB-JSGGCXKPSA-N. The full InChI is InChI=1S/C13H21N/c1-6-8-13(10(3)7-2)9-11(4)12(5)14/h6-9,12H,1,14H2,2-5H3/b10-7-,11-9+,13-8-.
What are the key properties of (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine?
(3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-[(Z)-but-2-en-2-yl]-3-methylocta-3,5,7-trien-2-amine is sourced from PubChem (CID 138533029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).