2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine

C12H19N — CID 146626302

IUPAC2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine
SMILESC=C1CCCC(CC)/C1=N/C=C\C
InChIInChI=1S/C12H19N/c1-4-9-13-12-10(3)7-6-8-11(12)5-2/h4,9,11H,3,5-8H2,1-2H3/b9-4-,13-12+
InChIKeyXIYCNBIXFWOTHK-DLCKBUAOSA-N
MW177.29 g/mol
LogP3.73
Rot. Bonds2

About 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine

2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine (PubChem CID 146626302) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine.

Molecular Properties

Compound Name2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine
PubChem CID146626302
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine
SMILESC=C1CCCC(CC)/C1=N/C=C\C
InChIInChI=1S/C12H19N/c1-4-9-13-12-10(3)7-6-8-11(12)5-2/h4,9,11H,3,5-8H2,1-2H3/b9-4-,13-12+
InChIKeyXIYCNBIXFWOTHK-DLCKBUAOSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.73
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 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine?
The IUPAC name of 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine (CID 146626302) is 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine.
What is the SMILES notation for 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine?
The canonical SMILES for 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine is C=C1CCCC(CC)/C1=N/C=C\C.
What is the InChIKey of 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine?
The InChIKey is XIYCNBIXFWOTHK-DLCKBUAOSA-N. The full InChI is InChI=1S/C12H19N/c1-4-9-13-12-10(3)7-6-8-11(12)5-2/h4,9,11H,3,5-8H2,1-2H3/b9-4-,13-12+.
What are the key properties of 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine?
2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylidene-N-[(Z)-prop-1-enyl]cyclohexan-1-imine is sourced from PubChem (CID 146626302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).