ethane;N-(2-methylcyclohexen-1-yl)ethanimine

C11H21N — CID 145380139

IUPACethane;N-(2-methylcyclohexen-1-yl)ethanimine
SMILESC/C=N/C1=C(C)CCCC1.CC
InChIInChI=1S/C9H15N.C2H6/c1-3-10-9-7-5-4-6-8(9)2;1-2/h3H,4-7H2,1-2H3;1-2H3/b10-3+;
InChIKeyHQYSHYKQRJZEAG-ORVWSRSGSA-N
MW167.30 g/mol
LogP3.95
Rot. Bonds1

About ethane;N-(2-methylcyclohexen-1-yl)ethanimine

ethane;N-(2-methylcyclohexen-1-yl)ethanimine (PubChem CID 145380139) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;N-(2-methylcyclohexen-1-yl)ethanimine.

Molecular Properties

Compound Nameethane;N-(2-methylcyclohexen-1-yl)ethanimine
PubChem CID145380139
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;N-(2-methylcyclohexen-1-yl)ethanimine
SMILESC/C=N/C1=C(C)CCCC1.CC
InChIInChI=1S/C9H15N.C2H6/c1-3-10-9-7-5-4-6-8(9)2;1-2/h3H,4-7H2,1-2H3;1-2H3/b10-3+;
InChIKeyHQYSHYKQRJZEAG-ORVWSRSGSA-N
XLogP3.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;N-(2-methylcyclohexen-1-yl)ethanimine?
The IUPAC name of ethane;N-(2-methylcyclohexen-1-yl)ethanimine (CID 145380139) is ethane;N-(2-methylcyclohexen-1-yl)ethanimine.
What is the SMILES notation for ethane;N-(2-methylcyclohexen-1-yl)ethanimine?
The canonical SMILES for ethane;N-(2-methylcyclohexen-1-yl)ethanimine is C/C=N/C1=C(C)CCCC1.CC.
What is the InChIKey of ethane;N-(2-methylcyclohexen-1-yl)ethanimine?
The InChIKey is HQYSHYKQRJZEAG-ORVWSRSGSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-3-10-9-7-5-4-6-8(9)2;1-2/h3H,4-7H2,1-2H3;1-2H3/b10-3+;.
What are the key properties of ethane;N-(2-methylcyclohexen-1-yl)ethanimine?
ethane;N-(2-methylcyclohexen-1-yl)ethanimine has a molecular weight of 167.30 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylcyclohexen-1-yl)ethanimine is sourced from PubChem (CID 145380139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).