2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile

C14H19N3O — CID 66197058

IUPAC2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile
SMILESCCOC1CC(N)C1Nc1cc(C)ccc1C#N
InChIInChI=1S/C14H19N3O/c1-3-18-13-7-11(16)14(13)17-12-6-9(2)4-5-10(12)8-15/h4-6,11,13-14,17H,3,7,16H2,1-2H3
InChIKeyZIKQFOFDTRKWOY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.78
Rot. Bonds4

About 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile

2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile (PubChem CID 66197058) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile
PubChem CID66197058
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile
SMILESCCOC1CC(N)C1Nc1cc(C)ccc1C#N
InChIInChI=1S/C14H19N3O/c1-3-18-13-7-11(16)14(13)17-12-6-9(2)4-5-10(12)8-15/h4-6,11,13-14,17H,3,7,16H2,1-2H3
InChIKeyZIKQFOFDTRKWOY-UHFFFAOYSA-N
XLogP1.78
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

CID 2850171
CID 2850171
CID 60662358
CID 60662358
CID 122150885
CID 122150885
CID 86797662
CID 86797662
CID 155452465
CID 155452465
CID 155452468
CID 155452468
CID 162523708
CID 162523708
CID 166917908
CID 166917908
CID 173847946
CID 173847946
CID 175953198
CID 175953198
CID 43580651
CID 43580651
CID 43598953
CID 43598953

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile?
The IUPAC name of 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile (CID 66197058) is 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile?
The canonical SMILES for 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile is CCOC1CC(N)C1Nc1cc(C)ccc1C#N.
What is the InChIKey of 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile?
The InChIKey is ZIKQFOFDTRKWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-13-7-11(16)14(13)17-12-6-9(2)4-5-10(12)8-15/h4-6,11,13-14,17H,3,7,16H2,1-2H3.
What are the key properties of 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile?
2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-ethoxycyclobutyl)amino]-4-methylbenzonitrile is sourced from PubChem (CID 66197058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).