(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine

C11H21N — CID 142945126

IUPAC(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
SMILESC=CC/C(=C\C=C/C)CC.CN
InChIInChI=1S/C10H16.CH5N/c1-4-7-9-10(6-3)8-5-2;1-2/h4-5,7,9H,2,6,8H2,1,3H3;2H2,1H3/b7-4-,10-9-;
InChIKeyVVOXHZKPEDFOIQ-DBDVFUPWSA-N
MW167.30 g/mol
LogP3.05
Rot. Bonds4

About (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine

(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine (PubChem CID 142945126) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine.

Molecular Properties

Compound Name(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
PubChem CID142945126
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
SMILESC=CC/C(=C\C=C/C)CC.CN
InChIInChI=1S/C10H16.CH5N/c1-4-7-9-10(6-3)8-5-2;1-2/h4-5,7,9H,2,6,8H2,1,3H3;2H2,1H3/b7-4-,10-9-;
InChIKeyVVOXHZKPEDFOIQ-DBDVFUPWSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.05
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 (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
(4Z)-7-ethyl-4-ethylidenenona-1,6-diene
CID 59970612
(2E,4E)-5-ethyl-7-methylocta-2,4-diene
CID 173194163
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161
2-ethylhexa-2,4-dienyl carbamate
CID 123678203
5-ethyl-7-methylnona-2,4-diene
CID 123846326
(2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride
CID 89302839
(4Z)-4-ethylidenehept-1-ene
CID 12841273
(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine
CID 89336328
4-ethylidene-6,7-dimethylnona-1,6-diene
CID 54551976
(4E,7Z)-4-ethylidene-7,8-dimethyldeca-1,7-diene
CID 141018531
4-methylidenehepta-1,5-diene
CID 76553064

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine?
The IUPAC name of (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine (CID 142945126) is (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine.
What is the SMILES notation for (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine?
The canonical SMILES for (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine is C=CC/C(=C\C=C/C)CC.CN.
What is the InChIKey of (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine?
The InChIKey is VVOXHZKPEDFOIQ-DBDVFUPWSA-N. The full InChI is InChI=1S/C10H16.CH5N/c1-4-7-9-10(6-3)8-5-2;1-2/h4-5,7,9H,2,6,8H2,1,3H3;2H2,1H3/b7-4-,10-9-;.
What are the key properties of (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine?
(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine has a molecular weight of 167.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine is sourced from PubChem (CID 142945126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).