1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile

C9H16N2O — CID 106823949

IUPAC1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile
SMILESCCOC1CC(C#N)(N(C)C)C1
InChIInChI=1S/C9H16N2O/c1-4-12-8-5-9(6-8,7-10)11(2)3/h8H,4-6H2,1-3H3
InChIKeyMFXHHNKVSBHRPB-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds3

About 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile

1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile (PubChem CID 106823949) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile
PubChem CID106823949
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile
SMILESCCOC1CC(C#N)(N(C)C)C1
InChIInChI=1S/C9H16N2O/c1-4-12-8-5-9(6-8,7-10)11(2)3/h8H,4-6H2,1-3H3
InChIKeyMFXHHNKVSBHRPB-UHFFFAOYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-ethoxycyclobutane-1-carbonitrile
CID 106824047
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 106822385
3-ethoxy-1-(2-methylpropylamino)cyclobutane-1-carbonitrile
CID 106822413
3-ethoxy-1-(4-fluoroanilino)cyclobutane-1-carbonitrile
CID 106822392
3-ethoxy-1-(2,2,2-trifluoroethylamino)cyclobutane-1-carbonitrile
CID 106822496
3-ethoxy-1-(3-hydroxypropylamino)cyclobutane-1-carbonitrile
CID 106822514
1-(aminomethyl)-3-ethoxy-N-ethyl-N-methylcyclobutan-1-amine
CID 106821743
1-(dimethylamino)-4-propylcyclohexane-1-carbonitrile
CID 60917267
1-(dimethylamino)-4-[ethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 117039634
2-(bromomethyl)-5-ethoxyspiro[2.3]hexane
CID 106824984
(5-ethoxyspiro[2.3]hexan-2-yl)methanamine
CID 106824123
1-(dimethylamino)cyclooctane-1-carbonitrile
CID 43802603

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile?
The IUPAC name of 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile (CID 106823949) is 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile?
The canonical SMILES for 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile is CCOC1CC(C#N)(N(C)C)C1.
What is the InChIKey of 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile?
The InChIKey is MFXHHNKVSBHRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-12-8-5-9(6-8,7-10)11(2)3/h8H,4-6H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile?
1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-ethoxycyclobutane-1-carbonitrile is sourced from PubChem (CID 106823949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).