3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile

C16H23N3O — CID 64535519

IUPAC3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
SMILESCC(C)N1CCOC(CNCc2cccc(C#N)c2)C1
InChIInChI=1S/C16H23N3O/c1-13(2)19-6-7-20-16(12-19)11-18-10-15-5-3-4-14(8-15)9-17/h3-5,8,13,16,18H,6-7,10-12H2,1-2H3
InChIKeySDPZJMBZVBRJLD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.76
Rot. Bonds5

About 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile

3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile (PubChem CID 64535519) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
PubChem CID64535519
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
SMILESCC(C)N1CCOC(CNCc2cccc(C#N)c2)C1
InChIInChI=1S/C16H23N3O/c1-13(2)19-6-7-20-16(12-19)11-18-10-15-5-3-4-14(8-15)9-17/h3-5,8,13,16,18H,6-7,10-12H2,1-2H3
InChIKeySDPZJMBZVBRJLD-UHFFFAOYSA-N
XLogP1.76
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile 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

3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
CID 95322212
3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 56810364
3-[(1,4-dioxan-2-ylmethylamino)methyl]benzonitrile
CID 54893348
N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64535311
3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzonitrile
CID 28716590
N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64681381
2-fluoro-6-[(4-propan-2-ylmorpholin-2-yl)methylamino]benzonitrile
CID 64533897
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 65244123
3-[[[(6R)-3-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methylamino]methyl]benzonitrile
CID 97469231
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64533307
3-[[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]benzonitrile
CID 126837996
3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105210

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile (CID 64535519) is 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile is CC(C)N1CCOC(CNCc2cccc(C#N)c2)C1.
What is the InChIKey of 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile?
The InChIKey is SDPZJMBZVBRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)19-6-7-20-16(12-19)11-18-10-15-5-3-4-14(8-15)9-17/h3-5,8,13,16,18H,6-7,10-12H2,1-2H3.
What are the key properties of 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile?
3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 64535519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).