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

C13H27N — CID 142549059

IUPACethane;N-(2-methylcyclohexen-1-yl)ethanimine
SMILESC/C=N/C1=C(C)CCCC1.CC.CC
InChIInChI=1S/C9H15N.2C2H6/c1-3-10-9-7-5-4-6-8(9)2;2*1-2/h3H,4-7H2,1-2H3;2*1-2H3/b10-3+;;
InChIKeyGXXMFIQZMLAORJ-PRAOPCELSA-N
MW197.37 g/mol
LogP4.98
Rot. Bonds1

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

ethane;N-(2-methylcyclohexen-1-yl)ethanimine (PubChem CID 142549059) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;N-(2-methylcyclohexen-1-yl)ethanimine.

Molecular Properties

Compound Nameethane;N-(2-methylcyclohexen-1-yl)ethanimine
PubChem CID142549059
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nameethane;N-(2-methylcyclohexen-1-yl)ethanimine
SMILESC/C=N/C1=C(C)CCCC1.CC.CC
InChIInChI=1S/C9H15N.2C2H6/c1-3-10-9-7-5-4-6-8(9)2;2*1-2/h3H,4-7H2,1-2H3;2*1-2H3/b10-3+;;
InChIKeyGXXMFIQZMLAORJ-PRAOPCELSA-N
XLogP4.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-(Ethyliminomethyl)cyclohexen-1-amine
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N-(2-methylcyclohexen-1-yl)propan-2-imine
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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 142549059) 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.CC.
What is the InChIKey of ethane;N-(2-methylcyclohexen-1-yl)ethanimine?
The InChIKey is GXXMFIQZMLAORJ-PRAOPCELSA-N. The full InChI is InChI=1S/C9H15N.2C2H6/c1-3-10-9-7-5-4-6-8(9)2;2*1-2/h3H,4-7H2,1-2H3;2*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 197.37 g/mol, XLogP of 4.98, 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 142549059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).