4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile

C16H22N2O — CID 81142401

IUPAC4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile
SMILESCCN(CC)C1(C#N)CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H22N2O/c1-5-18(6-2)16(12-17)11-15(3,4)19-14-10-8-7-9-13(14)16/h7-10H,5-6,11H2,1-4H3
InChIKeyZUDWJHBCMOYUCK-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.31
Rot. Bonds3

About 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile

4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile (PubChem CID 81142401) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile.

Molecular Properties

Compound Name4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile
PubChem CID81142401
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile
SMILESCCN(CC)C1(C#N)CC(C)(C)Oc2ccccc21
InChIInChI=1S/C16H22N2O/c1-5-18(6-2)16(12-17)11-15(3,4)19-14-10-8-7-9-13(14)16/h7-10H,5-6,11H2,1-4H3
InChIKeyZUDWJHBCMOYUCK-UHFFFAOYSA-N
XLogP3.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile?
The IUPAC name of 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile (CID 81142401) is 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile.
What is the SMILES notation for 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile?
The canonical SMILES for 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile is CCN(CC)C1(C#N)CC(C)(C)Oc2ccccc21.
What is the InChIKey of 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile?
The InChIKey is ZUDWJHBCMOYUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-18(6-2)16(12-17)11-15(3,4)19-14-10-8-7-9-13(14)16/h7-10H,5-6,11H2,1-4H3.
What are the key properties of 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile?
4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile has a molecular weight of 258.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2,2-dimethyl-3H-chromene-4-carbonitrile is sourced from PubChem (CID 81142401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).