ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine

C11H20N2 — CID 142972764

IUPACethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine
SMILESCC.[H]/N=C/C(/C=C\C)=C(N)/C=C\C
InChIInChI=1S/C9H14N2.C2H6/c1-3-5-8(7-10)9(11)6-4-2;1-2/h3-7,10H,11H2,1-2H3;1-2H3/b5-3-,6-4-,9-8-,10-7+;
InChIKeyHDRBMTUVIPBXLT-LDLSYDKXSA-N
MW180.29 g/mol
LogP3.03
Rot. Bonds3

About ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine

ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine (PubChem CID 142972764) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine.

Molecular Properties

Compound Nameethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine
PubChem CID142972764
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Nameethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine
SMILESCC.[H]/N=C/C(/C=C\C)=C(N)/C=C\C
InChIInChI=1S/C9H14N2.C2H6/c1-3-5-8(7-10)9(11)6-4-2;1-2/h3-7,10H,11H2,1-2H3;1-2H3/b5-3-,6-4-,9-8-,10-7+;
InChIKeyHDRBMTUVIPBXLT-LDLSYDKXSA-N
XLogP3.03
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine?
The IUPAC name of ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine (CID 142972764) is ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine.
What is the SMILES notation for ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine?
The canonical SMILES for ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine is CC.[H]/N=C/C(/C=C\C)=C(N)/C=C\C.
What is the InChIKey of ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine?
The InChIKey is HDRBMTUVIPBXLT-LDLSYDKXSA-N. The full InChI is InChI=1S/C9H14N2.C2H6/c1-3-5-8(7-10)9(11)6-4-2;1-2/h3-7,10H,11H2,1-2H3;1-2H3/b5-3-,6-4-,9-8-,10-7+;.
What are the key properties of ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine?
ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine has a molecular weight of 180.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z,6Z)-5-methanimidoylocta-2,4,6-trien-4-amine is sourced from PubChem (CID 142972764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).