4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile

C15H29N3O — CID 115651429

IUPAC4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile
SMILESCC(C)(CCC#N)CNCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H29N3O/c1-14(2,6-5-7-16)12-17-13-15(3,4)18-8-10-19-11-9-18/h17H,5-6,8-13H2,1-4H3
InChIKeySWHPDAOGDDRCSL-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.02
Rot. Bonds7

About 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile

4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile (PubChem CID 115651429) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile
PubChem CID115651429
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile
SMILESCC(C)(CCC#N)CNCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H29N3O/c1-14(2,6-5-7-16)12-17-13-15(3,4)18-8-10-19-11-9-18/h17H,5-6,8-13H2,1-4H3
InChIKeySWHPDAOGDDRCSL-UHFFFAOYSA-N
XLogP2.02
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile 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

4-Ethyl-4-[({[1-(4-morpholinyl)cyclopentyl]methyl}amino)methyl]hexanenitrile
CID 39818626
2-(Tert-butylamino)-5-morpholin-4-ylpentanenitrile
CID 20825478
4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 89460379
2-methyl-N-(2-morpholin-4-ylethyl)pentan-2-amine
CID 115621340
N-[2-[2-[4-(4,4-dimethylpentyl)piperazin-1-yl]ethoxy]ethyl]-2-methylpropan-2-amine
CID 140908068
N-[2-[2-[4-[2-[2-(tert-butylamino)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2,2-dimethylpentan-1-amine
CID 169952285
2,4-Dimethyl-2-morpholin-4-ylpentan-1-amine
CID 24695216
2-Methyl-2-morpholin-4-ylpentan-1-amine
CID 24706216
1-(2-Morpholin-4-ylethylamino)cyclopentane-1-carbonitrile
CID 28702677
1-(2-Morpholin-4-ylethylamino)cyclohexane-1-carbonitrile
CID 28702737
2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentan-1-amine
CID 43202164
2-Methyl-2-(3-methylmorpholin-4-yl)pentan-1-amine
CID 43541940

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile (CID 115651429) is 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile is CC(C)(CCC#N)CNCC(C)(C)N1CCOCC1.
What is the InChIKey of 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile?
The InChIKey is SWHPDAOGDDRCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-14(2,6-5-7-16)12-17-13-15(3,4)18-8-10-19-11-9-18/h17H,5-6,8-13H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile?
4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile has a molecular weight of 267.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]pentanenitrile is sourced from PubChem (CID 115651429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).