(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine

C9H15N — CID 146587341

IUPAC(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine
SMILESC/C=C\C=C/C(C)=C(/C)N
InChIInChI=1S/C9H15N/c1-4-5-6-7-8(2)9(3)10/h4-7H,10H2,1-3H3/b5-4-,7-6-,9-8-
InChIKeyGIILSZLOFLKDCV-GTTXRYGYSA-N
MW137.23 g/mol
LogP2.37
Rot. Bonds2

About (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine

(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine (PubChem CID 146587341) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine
PubChem CID146587341
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine
SMILESC/C=C\C=C/C(C)=C(/C)N
InChIInChI=1S/C9H15N/c1-4-5-6-7-8(2)9(3)10/h4-7H,10H2,1-3H3/b5-4-,7-6-,9-8-
InChIKeyGIILSZLOFLKDCV-GTTXRYGYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z,6Z)-3-methylocta-2,4,6-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

Related Compounds

(2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal
CID 145029008
N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]acetamide
CID 166970905
3-methylocta-2,4,6-trienamide
CID 141023741
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
[(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]cyclopropane
CID 178103964
(2E,4E)-hexa-2,4-dienoic acid;urea
CID 175321331
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
2-methylhepta-1,3,5-triene
CID 54571604
(4E)-hexa-2,4-diene
CID 22435466
ethane;methoxymethane;(2Z,4Z,6Z)-3-methylocta-2,4,6-triene
CID 144653602
(3Z,5Z)-N'-methyl-2-methylidenehepta-3,5-dienimidamide
CID 145063877

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine (CID 146587341) is (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine is C/C=C\C=C/C(C)=C(/C)N.
What is the InChIKey of (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine?
The InChIKey is GIILSZLOFLKDCV-GTTXRYGYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-6-7-8(2)9(3)10/h4-7H,10H2,1-3H3/b5-4-,7-6-,9-8-.
What are the key properties of (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine?
(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine has a molecular weight of 137.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine is sourced from PubChem (CID 146587341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).