2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile

C10H18N2O — CID 61006472

IUPAC2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile
SMILESCC(C)CNC(C#N)C1CCOC1
InChIInChI=1S/C10H18N2O/c1-8(2)6-12-10(5-11)9-3-4-13-7-9/h8-10,12H,3-4,6-7H2,1-2H3
InChIKeyNWRXLYUKIISHID-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.16
Rot. Bonds4

About 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile

2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile (PubChem CID 61006472) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile
PubChem CID61006472
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile
SMILESCC(C)CNC(C#N)C1CCOC1
InChIInChI=1S/C10H18N2O/c1-8(2)6-12-10(5-11)9-3-4-13-7-9/h8-10,12H,3-4,6-7H2,1-2H3
InChIKeyNWRXLYUKIISHID-UHFFFAOYSA-N
XLogP1.16
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile?
The IUPAC name of 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile (CID 61006472) is 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile.
What is the SMILES notation for 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile?
The canonical SMILES for 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile is CC(C)CNC(C#N)C1CCOC1.
What is the InChIKey of 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile?
The InChIKey is NWRXLYUKIISHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)6-12-10(5-11)9-3-4-13-7-9/h8-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile?
2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-2-(oxolan-3-yl)acetonitrile is sourced from PubChem (CID 61006472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).