ethane;3-ethoxycyclohex-2-en-1-imine

C10H19NO — CID 144878388

IUPACethane;3-ethoxycyclohex-2-en-1-imine
SMILESCC.[H]/N=C1/C=C(OCC)CCC1
InChIInChI=1S/C8H13NO.C2H6/c1-2-10-8-5-3-4-7(9)6-8;1-2/h6,9H,2-5H2,1H3;1-2H3/b9-7+;
InChIKeyVWKQKNZIKHTXOV-BXTVWIJMSA-N
MW169.27 g/mol
LogP3.14
Rot. Bonds2

About ethane;3-ethoxycyclohex-2-en-1-imine

ethane;3-ethoxycyclohex-2-en-1-imine (PubChem CID 144878388) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;3-ethoxycyclohex-2-en-1-imine.

Molecular Properties

Compound Nameethane;3-ethoxycyclohex-2-en-1-imine
PubChem CID144878388
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nameethane;3-ethoxycyclohex-2-en-1-imine
SMILESCC.[H]/N=C1/C=C(OCC)CCC1
InChIInChI=1S/C8H13NO.C2H6/c1-2-10-8-5-3-4-7(9)6-8;1-2/h6,9H,2-5H2,1H3;1-2H3/b9-7+;
InChIKeyVWKQKNZIKHTXOV-BXTVWIJMSA-N
XLogP3.14
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexen-1-one, 3-ethoxy-, oxime
CID 5385164
(NZ)-N-(3-ethoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 5793204
3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine
CID 3705223
N-(3-ethoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 343988
4-Diazo-3-ethoxycyclohex-2-en-1-imine
CID 57059126
4-Diazo-3-propoxycyclohex-2-en-1-imine
CID 57309972
N-(2-butoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 88770173
3-(5-Iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine
CID 90773925
7-methyl-3,4-dihydro-2H-oxepin-5-imine
CID 90907504
3,5-Dimethoxycyclohex-2-en-1-imine
CID 91304520
(E)-5-methoxyoct-4-en-3-imine
CID 91483796
1-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanimine
CID 123212202

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethoxycyclohex-2-en-1-imine?
The IUPAC name of ethane;3-ethoxycyclohex-2-en-1-imine (CID 144878388) is ethane;3-ethoxycyclohex-2-en-1-imine.
What is the SMILES notation for ethane;3-ethoxycyclohex-2-en-1-imine?
The canonical SMILES for ethane;3-ethoxycyclohex-2-en-1-imine is CC.[H]/N=C1/C=C(OCC)CCC1.
What is the InChIKey of ethane;3-ethoxycyclohex-2-en-1-imine?
The InChIKey is VWKQKNZIKHTXOV-BXTVWIJMSA-N. The full InChI is InChI=1S/C8H13NO.C2H6/c1-2-10-8-5-3-4-7(9)6-8;1-2/h6,9H,2-5H2,1H3;1-2H3/b9-7+;.
What are the key properties of ethane;3-ethoxycyclohex-2-en-1-imine?
ethane;3-ethoxycyclohex-2-en-1-imine has a molecular weight of 169.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethoxycyclohex-2-en-1-imine is sourced from PubChem (CID 144878388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).