3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile

C12H22N2O — CID 116521807

IUPAC3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile
SMILESCC(CC#N)N(C)CC1CCC(C)(C)O1
InChIInChI=1S/C12H22N2O/c1-10(6-8-13)14(4)9-11-5-7-12(2,3)15-11/h10-11H,5-7,9H2,1-4H3
InChIKeyJJIUMFRUEMGLAT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.18
Rot. Bonds4

About 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile

3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile (PubChem CID 116521807) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile
PubChem CID116521807
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile
SMILESCC(CC#N)N(C)CC1CCC(C)(C)O1
InChIInChI=1S/C12H22N2O/c1-10(6-8-13)14(4)9-11-5-7-12(2,3)15-11/h10-11H,5-7,9H2,1-4H3
InChIKeyJJIUMFRUEMGLAT-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile 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-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 116524100
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanimidamide
CID 116522034
1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
CID 116523432
5-[[1-cyanopropan-2-yl(methyl)amino]methyl]oxolane-2-carboxylic acid
CID 63223023
3-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]butanenitrile
CID 66362900
3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile
CID 79164880
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]benzonitrile
CID 116521819
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 116520960
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 116520965
(5,5-dimethyloxolan-2-yl)methyl thiocyanate
CID 155418417
3-[N-[(5,5-dimethyloxolan-2-yl)methyl]anilino]propanenitrile
CID 116521793

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile?
The IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile (CID 116521807) is 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile.
What is the SMILES notation for 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile?
The canonical SMILES for 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile is CC(CC#N)N(C)CC1CCC(C)(C)O1.
What is the InChIKey of 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile?
The InChIKey is JJIUMFRUEMGLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(6-8-13)14(4)9-11-5-7-12(2,3)15-11/h10-11H,5-7,9H2,1-4H3.
What are the key properties of 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile?
3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanenitrile is sourced from PubChem (CID 116521807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).