ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen

C9H18N2 — CID 143703759

IUPACethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen
SMILESCC.[H]/N=C/C1=CCCC=C1N.[H][H]
InChIInChI=1S/C7H10N2.C2H6.H2/c8-5-6-3-1-2-4-7(6)9;1-2;/h3-5,8H,1-2,9H2;1-2H3;1H/b8-5+;;
InChIKeyCUHLBCPQRPUXLS-RMZRELHQSA-N
MW154.26 g/mol
LogP2.47
Rot. Bonds1

About ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen

ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen (PubChem CID 143703759) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen
PubChem CID143703759
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen
SMILESCC.[H]/N=C/C1=CCCC=C1N.[H][H]
InChIInChI=1S/C7H10N2.C2H6.H2/c8-5-6-3-1-2-4-7(6)9;1-2;/h3-5,8H,1-2,9H2;1-2H3;1H/b8-5+;;
InChIKeyCUHLBCPQRPUXLS-RMZRELHQSA-N
XLogP2.47
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen 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;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen?
The IUPAC name of ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen (CID 143703759) is ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen?
The canonical SMILES for ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen is CC.[H]/N=C/C1=CCCC=C1N.[H][H].
What is the InChIKey of ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen?
The InChIKey is CUHLBCPQRPUXLS-RMZRELHQSA-N. The full InChI is InChI=1S/C7H10N2.C2H6.H2/c8-5-6-3-1-2-4-7(6)9;1-2;/h3-5,8H,1-2,9H2;1-2H3;1H/b8-5+;;.
What are the key properties of ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen?
ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen has a molecular weight of 154.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine;molecular hydrogen is sourced from PubChem (CID 143703759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).