2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile

C12H24N2O — CID 102983535

IUPAC2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile
SMILESCCCC(C)OCC(C)(C#N)NC(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-11(4)15-9-12(5,8-13)14-10(2)3/h10-11,14H,6-7,9H2,1-5H3
InChIKeyNNYBOGHYWVHGAX-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds7

About 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile

2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile (PubChem CID 102983535) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile
PubChem CID102983535
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile
SMILESCCCC(C)OCC(C)(C#N)NC(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-11(4)15-9-12(5,8-13)14-10(2)3/h10-11,14H,6-7,9H2,1-5H3
InChIKeyNNYBOGHYWVHGAX-UHFFFAOYSA-N
XLogP2.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 64726084
3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 62141602
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
CID 103284790
ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
CID 102983984
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261
methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate
CID 102980035
2-methyl-2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62206650
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64698958
4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile
CID 102983485
2-methyl-2-(propan-2-ylamino)hex-5-enenitrile
CID 104655874
3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 82960819
6,6,6-trifluoro-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 116535437

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile (CID 102983535) is 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile is CCCC(C)OCC(C)(C#N)NC(C)C.
What is the InChIKey of 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile?
The InChIKey is NNYBOGHYWVHGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-7-11(4)15-9-12(5,8-13)14-10(2)3/h10-11,14H,6-7,9H2,1-5H3.
What are the key properties of 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile?
2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 102983535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).