ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine

C10H18N2 — CID 143255293

IUPACethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine
SMILESCC.[H]/N=C/C1=CCC(C)C=C1N
InChIInChI=1S/C8H12N2.C2H6/c1-6-2-3-7(5-9)8(10)4-6;1-2/h3-6,9H,2,10H2,1H3;1-2H3/b9-5+;
InChIKeyUIYSUUUGHPDBMB-SZKNIZGXSA-N
MW166.27 g/mol
LogP2.47
Rot. Bonds1

About ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine

ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine (PubChem CID 143255293) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Nameethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine
PubChem CID143255293
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine
SMILESCC.[H]/N=C/C1=CCC(C)C=C1N
InChIInChI=1S/C8H12N2.C2H6/c1-6-2-3-7(5-9)8(10)4-6;1-2/h3-6,9H,2,10H2,1H3;1-2H3/b9-5+;
InChIKeyUIYSUUUGHPDBMB-SZKNIZGXSA-N
XLogP2.47
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine (CID 143255293) is ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine is CC.[H]/N=C/C1=CCC(C)C=C1N.
What is the InChIKey of ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is UIYSUUUGHPDBMB-SZKNIZGXSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-6-2-3-7(5-9)8(10)4-6;1-2/h3-6,9H,2,10H2,1H3;1-2H3/b9-5+;.
What are the key properties of ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine?
ethane;6-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 166.27 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-methanimidoyl-3-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143255293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).