ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine

C10H19N — CID 143375975

IUPACethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(C)/C=C\C.CC
InChIInChI=1S/C8H13N.C2H6/c1-4-5-7(2)6-8(3)9;1-2/h4-6H,3,9H2,1-2H3;1-2H3/b5-4-,7-6+;
InChIKeyVFEVZKKOQGOSMD-YLKXMWBMSA-N
MW153.27 g/mol
LogP3.01
Rot. Bonds2

About ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine

ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine (PubChem CID 143375975) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
PubChem CID143375975
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C=C(C)/C=C\C.CC
InChIInChI=1S/C8H13N.C2H6/c1-4-5-7(2)6-8(3)9;1-2/h4-6H,3,9H2,1-2H3;1-2H3/b5-4-,7-6+;
InChIKeyVFEVZKKOQGOSMD-YLKXMWBMSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(3E,5Z)-4-methylhepta-1,3,5-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

(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
ethane;(3Z,5Z)-4-methylhepta-1,3,5-triene-2-sulfonic acid
CID 142867558
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
(2Z,4Z)-4-methyl-6-methylidenedeca-2,4-diene
CID 142960534
(3E,5Z,7Z)-6-methylnona-1,3,5,7-tetraen-3-amine
CID 143332399
(2E,4E)-3-methylhexa-2,4-dienoyl chloride
CID 58952072
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
3-methylhexa-2,4-dienoyl chloride
CID 71402233

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine?
The IUPAC name of ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine (CID 143375975) is ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine?
The canonical SMILES for ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine is C=C(N)/C=C(C)/C=C\C.CC.
What is the InChIKey of ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine?
The InChIKey is VFEVZKKOQGOSMD-YLKXMWBMSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-4-5-7(2)6-8(3)9;1-2/h4-6H,3,9H2,1-2H3;1-2H3/b5-4-,7-6+;.
What are the key properties of ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine?
ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine has a molecular weight of 153.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,5Z)-4-methylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 143375975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).