2-ethoxycyclobutan-1-imine

C6H11NO — CID 90996609

IUPAC2-ethoxycyclobutan-1-imine
SMILES[H]/N=C1\CCC1OCC
InChIInChI=1S/C6H11NO/c1-2-8-6-4-3-5(6)7/h6-7H,2-4H2,1H3/b7-5+
InChIKeyLVFNGYTVUZTUQX-FNORWQNLSA-N
MW113.16 g/mol
LogP1.21
Rot. Bonds2

About 2-ethoxycyclobutan-1-imine

2-ethoxycyclobutan-1-imine (PubChem CID 90996609) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-ethoxycyclobutan-1-imine.

Molecular Properties

Compound Name2-ethoxycyclobutan-1-imine
PubChem CID90996609
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-ethoxycyclobutan-1-imine
SMILES[H]/N=C1\CCC1OCC
InChIInChI=1S/C6H11NO/c1-2-8-6-4-3-5(6)7/h6-7H,2-4H2,1H3/b7-5+
InChIKeyLVFNGYTVUZTUQX-FNORWQNLSA-N
XLogP1.21
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.21
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

3-Methoxybutan-2-imine
CID 90191917
1-(3-Methyloxiran-2-yl)ethanimine
CID 90929945
(3R)-3-methoxybutan-2-imine
CID 123182755
2-Methoxypentan-3-imine
CID 123395422
1-Ethoxybutan-2-imine
CID 123509127
2-Ethoxypentan-3-imine
CID 123646802
1-Propan-2-yloxypropan-2-imine
CID 134536644
(3S)-3-methoxypentan-2-imine
CID 141961400
4-Methoxypentan-2-imine
CID 153685632
Cyclobutyl ethanimidate
CID 169988499
3-Ethoxybutan-2-imine
CID 170234480
(3R)-3-methoxypentan-2-imine
CID 174531499

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycyclobutan-1-imine?
The IUPAC name of 2-ethoxycyclobutan-1-imine (CID 90996609) is 2-ethoxycyclobutan-1-imine.
What is the SMILES notation for 2-ethoxycyclobutan-1-imine?
The canonical SMILES for 2-ethoxycyclobutan-1-imine is [H]/N=C1\CCC1OCC.
What is the InChIKey of 2-ethoxycyclobutan-1-imine?
The InChIKey is LVFNGYTVUZTUQX-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-8-6-4-3-5(6)7/h6-7H,2-4H2,1H3/b7-5+.
What are the key properties of 2-ethoxycyclobutan-1-imine?
2-ethoxycyclobutan-1-imine has a molecular weight of 113.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycyclobutan-1-imine is sourced from PubChem (CID 90996609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).