(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine

C10H17N — CID 88998044

IUPAC(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine
SMILESC=C/C(C)=C\C=C(/C)C(C)N
InChIInChI=1S/C10H17N/c1-5-8(2)6-7-9(3)10(4)11/h5-7,10H,1,11H2,2-4H3/b8-6-,9-7+
InChIKeyMSKHJHREUJSCDT-MKKAVFGOSA-N
MW151.25 g/mol
LogP2.41
Rot. Bonds3

About (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine

(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine (PubChem CID 88998044) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine
PubChem CID88998044
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine
SMILESC=C/C(C)=C\C=C(/C)C(C)N
InChIInChI=1S/C10H17N/c1-5-8(2)6-7-9(3)10(4)11/h5-7,10H,1,11H2,2-4H3/b8-6-,9-7+
InChIKeyMSKHJHREUJSCDT-MKKAVFGOSA-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 (3E,5Z)-3,6-dimethylocta-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

Related Compounds

(3E,5E)-7,7-difluoro-3,6-dimethylhepta-1,3,5-triene
CID 134447442
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
1-[(3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-yl]-4-methylbenzene
CID 169209291
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
(3Z,5E)-8,8,8-trifluoro-3,6-dimethyl-7-nitrosoocta-1,3,5-triene
CID 129120316
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
(E)-[(3Z)-3,6-dimethylocta-3,5,7-trien-2-ylidene]hydrazine
CID 91028971
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3E,5Z)-3-chloro-6-methylocta-1,3,5,7-tetraene;ethane
CID 143902080
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine?
The IUPAC name of (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine (CID 88998044) is (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine.
What is the SMILES notation for (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine?
The canonical SMILES for (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine is C=C/C(C)=C\C=C(/C)C(C)N.
What is the InChIKey of (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine?
The InChIKey is MSKHJHREUJSCDT-MKKAVFGOSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8(2)6-7-9(3)10(4)11/h5-7,10H,1,11H2,2-4H3/b8-6-,9-7+.
What are the key properties of (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine?
(3E,5Z)-3,6-dimethylocta-3,5,7-trien-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 (3E,5Z)-3,6-dimethylocta-3,5,7-trien-2-amine is sourced from PubChem (CID 88998044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).