2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile

C14H19N3O — CID 60965677

IUPAC2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
SMILESCC(CN1CCOCC1)Nc1ccccc1C#N
InChIInChI=1S/C14H19N3O/c1-12(11-17-6-8-18-9-7-17)16-14-5-3-2-4-13(14)10-15/h2-5,12,16H,6-9,11H2,1H3
InChIKeyCTODIHOCPAWSEL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds4

About 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile

2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile (PubChem CID 60965677) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
PubChem CID60965677
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
SMILESCC(CN1CCOCC1)Nc1ccccc1C#N
InChIInChI=1S/C14H19N3O/c1-12(11-17-6-8-18-9-7-17)16-14-5-3-2-4-13(14)10-15/h2-5,12,16H,6-9,11H2,1H3
InChIKeyCTODIHOCPAWSEL-UHFFFAOYSA-N
XLogP1.69
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
CID 107106633
2-(butan-2-ylamino)benzonitrile
CID 43178639
2-amino-3-(1-piperidin-1-ylpropan-2-ylamino)benzonitrile
CID 104716480
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
4-bromo-2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]benzonitrile
CID 107797947
5-bromo-2-[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]benzonitrile
CID 97350170
5-bromo-2-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]benzonitrile
CID 75476702
4-methyl-1-N-(1-morpholin-4-ylpropan-2-yl)benzene-1,2-diamine
CID 54965108
3-chloro-2-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]benzonitrile
CID 133320483
3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43779519
2-(heptan-2-ylamino)benzonitrile
CID 43100327
4,6-dimethyl-2-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 60965079

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile?
The IUPAC name of 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile (CID 60965677) is 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile?
The canonical SMILES for 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile is CC(CN1CCOCC1)Nc1ccccc1C#N.
What is the InChIKey of 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile?
The InChIKey is CTODIHOCPAWSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(11-17-6-8-18-9-7-17)16-14-5-3-2-4-13(14)10-15/h2-5,12,16H,6-9,11H2,1H3.
What are the key properties of 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile?
2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile is sourced from PubChem (CID 60965677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).