1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile

C8H14N2O — CID 106822380

IUPAC1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
SMILESCCNC1(C#N)CC(OC)C1
InChIInChI=1S/C8H14N2O/c1-3-10-8(6-9)4-7(5-8)11-2/h7,10H,3-5H2,1-2H3
InChIKeySKPUYLNYHKBWQF-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.67
Rot. Bonds3

About 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile

1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile (PubChem CID 106822380) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
PubChem CID106822380
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile
SMILESCCNC1(C#N)CC(OC)C1
InChIInChI=1S/C8H14N2O/c1-3-10-8(6-9)4-7(5-8)11-2/h7,10H,3-5H2,1-2H3
InChIKeySKPUYLNYHKBWQF-UHFFFAOYSA-N
XLogP0.67
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile
CID 106822418
1-(ethylamino)-3-(2-methylbutan-2-yloxy)cyclopentane-1-carbonitrile
CID 79639805
1-(ethylamino)-3-(3-methoxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102966224
3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
CID 106822413
1-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 103179797
3-(3,5-dimethylphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79649725
3-(3,4-dimethylcyclohexyl)oxy-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79636159
3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile
CID 106822496
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
1-(ethylamino)-3-[2-(2-methylpropoxy)ethoxy]cyclohexane-1-carbonitrile
CID 106448783
3-ethoxy-1-(3-hydroxypropylamino)cyclobutane-1-carbonitrile
CID 106822514
1-amino-3-methoxycyclobutane-1-carbonitrile
CID 106822374

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile?
The IUPAC name of 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile (CID 106822380) is 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile?
The canonical SMILES for 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile is CCNC1(C#N)CC(OC)C1.
What is the InChIKey of 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile?
The InChIKey is SKPUYLNYHKBWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-10-8(6-9)4-7(5-8)11-2/h7,10H,3-5H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile?
1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile has a molecular weight of 154.21 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-methoxycyclobutane-1-carbonitrile is sourced from PubChem (CID 106822380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).