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

C9H16N2 — CID 144895641

IUPACethane;6-methanimidoylcyclohexa-1,5-dien-1-amine
SMILESCC.[H]/N=C/C1=CCCC=C1N
InChIInChI=1S/C7H10N2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h3-5,8H,1-2,9H2;1-2H3/b8-5+;
InChIKeyFKYGHSPQPPWUSS-HAAWTFQLSA-N
MW152.24 g/mol
LogP2.22
Rot. Bonds1

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

ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine (PubChem CID 144895641) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Nameethane;6-methanimidoylcyclohexa-1,5-dien-1-amine
PubChem CID144895641
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Nameethane;6-methanimidoylcyclohexa-1,5-dien-1-amine
SMILESCC.[H]/N=C/C1=CCCC=C1N
InChIInChI=1S/C7H10N2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h3-5,8H,1-2,9H2;1-2H3/b8-5+;
InChIKeyFKYGHSPQPPWUSS-HAAWTFQLSA-N
XLogP2.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.22
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 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?
The IUPAC name of ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine (CID 144895641) is ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine is CC.[H]/N=C/C1=CCCC=C1N.
What is the InChIKey of ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine?
The InChIKey is FKYGHSPQPPWUSS-HAAWTFQLSA-N. The full InChI is InChI=1S/C7H10N2.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h3-5,8H,1-2,9H2;1-2H3/b8-5+;.
What are the key properties of ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine?
ethane;6-methanimidoylcyclohexa-1,5-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 2.22, 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 is sourced from PubChem (CID 144895641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).