2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile

C12H21N3O — CID 82749204

IUPAC2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile
SMILESCN(CC(C)(C#N)NC1CC1)C1CCOC1
InChIInChI=1S/C12H21N3O/c1-12(8-13,14-10-3-4-10)9-15(2)11-5-6-16-7-11/h10-11,14H,3-7,9H2,1-2H3
InChIKeyIORJFUPVLQIOLX-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.74
Rot. Bonds5

About 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile

2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile (PubChem CID 82749204) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile
PubChem CID82749204
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile
SMILESCN(CC(C)(C#N)NC1CC1)C1CCOC1
InChIInChI=1S/C12H21N3O/c1-12(8-13,14-10-3-4-10)9-15(2)11-5-6-16-7-11/h10-11,14H,3-7,9H2,1-2H3
InChIKeyIORJFUPVLQIOLX-UHFFFAOYSA-N
XLogP0.74
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile 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

2,2-dimethyl-4-[methyl(oxolan-3-yl)amino]butanenitrile
CID 115773014
ethyl 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanoate
CID 82744284
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile
CID 63713353
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63700305
2-amino-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanenitrile
CID 82749419
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969
2-ethyl-N,N',2-trimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744251
N,2-diethyl-N',2-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744178
3-[methyl(oxolan-3-yl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 82730933
2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanamide
CID 82743641
2-(cyclopropylamino)-2-methyl-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanenitrile
CID 63236655

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile (CID 82749204) is 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile is CN(CC(C)(C#N)NC1CC1)C1CCOC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile?
The InChIKey is IORJFUPVLQIOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(8-13,14-10-3-4-10)9-15(2)11-5-6-16-7-11/h10-11,14H,3-7,9H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile?
2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile has a molecular weight of 223.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanenitrile is sourced from PubChem (CID 82749204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).