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

C12H22N2O — CID 61005804

IUPAC2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
SMILESCCC(C)C(C)(C#N)NCC1CCCO1
InChIInChI=1S/C12H22N2O/c1-4-10(2)12(3,9-13)14-8-11-6-5-7-15-11/h10-11,14H,4-8H2,1-3H3
InChIKeyLJFQPGRPDFDTGE-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.08
Rot. Bonds5

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

2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile (PubChem CID 61005804) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
PubChem CID61005804
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
SMILESCCC(C)C(C)(C#N)NCC1CCCO1
InChIInChI=1S/C12H22N2O/c1-4-10(2)12(3,9-13)14-8-11-6-5-7-15-11/h10-11,14H,4-8H2,1-3H3
InChIKeyLJFQPGRPDFDTGE-UHFFFAOYSA-N
XLogP2.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
The IUPAC name of 2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile (CID 61005804) is 2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile.
What is the SMILES notation for 2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
The canonical SMILES for 2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile is CCC(C)C(C)(C#N)NCC1CCCO1.
What is the InChIKey of 2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
The InChIKey is LJFQPGRPDFDTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-10(2)12(3,9-13)14-8-11-6-5-7-15-11/h10-11,14H,4-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile?
2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile has a molecular weight of 210.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(oxolan-2-ylmethylamino)pentanenitrile is sourced from PubChem (CID 61005804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).