2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile

C12H22N2O — CID 65253924

IUPAC2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile
SMILESCC(C)(C#N)CCCNCC1CCOC1
InChIInChI=1S/C12H22N2O/c1-12(2,10-13)5-3-6-14-8-11-4-7-15-9-11/h11,14H,3-9H2,1-2H3
InChIKeyRDELOFKSNNXAKT-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.94
Rot. Bonds6

About 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile

2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile (PubChem CID 65253924) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile
PubChem CID65253924
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile
SMILESCC(C)(C#N)CCCNCC1CCOC1
InChIInChI=1S/C12H22N2O/c1-12(2,10-13)5-3-6-14-8-11-4-7-15-9-11/h11,14H,3-9H2,1-2H3
InChIKeyRDELOFKSNNXAKT-UHFFFAOYSA-N
XLogP1.94
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-hydroxycyclohexyl)methylamino]-2,2-dimethylpentanenitrile
CID 114147881
4-(oxolan-3-ylmethylamino)butanenitrile
CID 61040172
2,2-dimethyl-3-(oxan-4-ylmethylamino)propanenitrile
CID 104587192
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
2,2-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pentanenitrile
CID 65254297
2,2-dimethyl-3-(oxan-3-ylmethylamino)propanenitrile
CID 104587296
3-(oxolan-3-ylmethylamino)propanenitrile
CID 43207692
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol
CID 115685739
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile
CID 65254531

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile (CID 65253924) is 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile is CC(C)(C#N)CCCNCC1CCOC1.
What is the InChIKey of 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile?
The InChIKey is RDELOFKSNNXAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2,10-13)5-3-6-14-8-11-4-7-15-9-11/h11,14H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile?
2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile has a molecular weight of 210.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile is sourced from PubChem (CID 65253924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).