3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine

C12H21NO2 — CID 102139019

IUPAC3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine
SMILESCCOC1=C/C(=N/CCCOC)CCC1
InChIInChI=1S/C12H21NO2/c1-3-15-12-7-4-6-11(10-12)13-8-5-9-14-2/h10H,3-9H2,1-2H3/b13-11+
InChIKeyLWWCWTRCNKBMNK-ACCUITESSA-N
MW211.30 g/mol
LogP2.57
Rot. Bonds6

About 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine

3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine (PubChem CID 102139019) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine
PubChem CID102139019
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine
SMILESCCOC1=C/C(=N/CCCOC)CCC1
InChIInChI=1S/C12H21NO2/c1-3-15-12-7-4-6-11(10-12)13-8-5-9-14-2/h10H,3-9H2,1-2H3/b13-11+
InChIKeyLWWCWTRCNKBMNK-ACCUITESSA-N
XLogP2.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine?
The IUPAC name of 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine (CID 102139019) is 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine.
What is the SMILES notation for 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine?
The canonical SMILES for 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine is CCOC1=C/C(=N/CCCOC)CCC1.
What is the InChIKey of 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine?
The InChIKey is LWWCWTRCNKBMNK-ACCUITESSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-15-12-7-4-6-11(10-12)13-8-5-9-14-2/h10H,3-9H2,1-2H3/b13-11+.
What are the key properties of 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine?
3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine has a molecular weight of 211.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-methoxypropyl)cyclohex-2-en-1-imine is sourced from PubChem (CID 102139019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).