2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile

C10H18N2O — CID 61024114

IUPAC2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile
SMILESCCC(C)NC(C#N)C1CCOC1
InChIInChI=1S/C10H18N2O/c1-3-8(2)12-10(6-11)9-4-5-13-7-9/h8-10,12H,3-5,7H2,1-2H3
InChIKeyRLBIBGXLNASPBH-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.30
Rot. Bonds4

About 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile

2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile (PubChem CID 61024114) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile
PubChem CID61024114
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile
SMILESCCC(C)NC(C#N)C1CCOC1
InChIInChI=1S/C10H18N2O/c1-3-8(2)12-10(6-11)9-4-5-13-7-9/h8-10,12H,3-5,7H2,1-2H3
InChIKeyRLBIBGXLNASPBH-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 60998407
3,3,3-Trifluoro-2-[[1-(oxolan-3-yl)ethylamino]methyl]propanenitrile
CID 103367599
3-fluoro-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115731748
N-(2-fluoroethyl)-1-(oxolan-3-yl)ethanamine
CID 116433580
N-(oxolan-3-ylmethyl)pentan-2-amine
CID 43191499
4-(Propan-2-ylamino)oxane-4-carbonitrile
CID 43608752
3-(Oxolan-3-ylmethylamino)butanenitrile
CID 61039362
N'-[1-(oxolan-3-yl)ethyl]ethane-1,2-diamine
CID 70458104
2-(Methylamino)-2-(oxolan-3-yl)propanenitrile
CID 116176063
2-(Oxolan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 116176069
2-(Oxolan-3-yl)-2-piperazin-1-ylacetonitrile
CID 20114182
2-(Methylamino)-2-(oxolan-3-yl)acetonitrile
CID 43115004

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile?
The IUPAC name of 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile (CID 61024114) is 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile?
The canonical SMILES for 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile is CCC(C)NC(C#N)C1CCOC1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile?
The InChIKey is RLBIBGXLNASPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-8(2)12-10(6-11)9-4-5-13-7-9/h8-10,12H,3-5,7H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile?
2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile has a molecular weight of 182.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(oxolan-3-yl)acetonitrile is sourced from PubChem (CID 61024114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).