(2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine

C10H17N — CID 89008164

IUPAC(2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine
SMILESC/C=C\C=C/C(=C\C)[C@H](C)N
InChIInChI=1S/C10H17N/c1-4-6-7-8-10(5-2)9(3)11/h4-9H,11H2,1-3H3/b6-4-,8-7-,10-5+/t9-/m0/s1
InChIKeyYIWWSLUQPHWFSL-YZGNNHCQSA-N
MW151.25 g/mol
LogP2.41
Rot. Bonds3

About (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine

(2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine (PubChem CID 89008164) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine.

Molecular Properties

Compound Name(2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine
PubChem CID89008164
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine
SMILESC/C=C\C=C/C(=C\C)[C@H](C)N
InChIInChI=1S/C10H17N/c1-4-6-7-8-10(5-2)9(3)11/h4-9H,11H2,1-3H3/b6-4-,8-7-,10-5+/t9-/m0/s1
InChIKeyYIWWSLUQPHWFSL-YZGNNHCQSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-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

6-Methylhept-5-en-2-amine, (+-)-
CID 31179
(2E)-3,7-Dimethylocta-2,6-dien-1-amine
CID 5475462
CID 17753774
CID 17753774
2,6,10-Dodecatrien-1-amine, 3,7,11-trimethyl-
CID 6449783
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 18598171
(3E,4-diene-2R-amine
CID 10443078
(2s,3e,5z)-2-Amino-3,5,13-tetradecatrien
CID 11117250
Farnesylamine
CID 3080630
(2Z)-Farnesylamine
CID 129653587
(2E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 175927183
(2S,3E,5Z)-dodeca-3,5-dien-2-amine
CID 162852825
(2S,3E,5E)-tetradeca-3,5,13-trien-2-amine
CID 162884434

Frequently Asked Questions

What is the IUPAC name of (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine?
The IUPAC name of (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine (CID 89008164) is (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine.
What is the SMILES notation for (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine?
The canonical SMILES for (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine is C/C=C\C=C/C(=C\C)[C@H](C)N.
What is the InChIKey of (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine?
The InChIKey is YIWWSLUQPHWFSL-YZGNNHCQSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-7-8-10(5-2)9(3)11/h4-9H,11H2,1-3H3/b6-4-,8-7-,10-5+/t9-/m0/s1.
What are the key properties of (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine?
(2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3E,4Z,6Z)-3-ethylideneocta-4,6-dien-2-amine is sourced from PubChem (CID 89008164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).