4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile

C12H24N2O — CID 102983485

IUPAC4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile
SMILESCCCC(C)OCCC(C#N)NC(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-11(4)15-8-7-12(9-13)14-10(2)3/h10-12,14H,5-8H2,1-4H3
InChIKeyKYDZLQFSBGZSLW-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.47
Rot. Bonds8

About 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile

4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile (PubChem CID 102983485) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile
PubChem CID102983485
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile
SMILESCCCC(C)OCCC(C#N)NC(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-11(4)15-8-7-12(9-13)14-10(2)3/h10-12,14H,5-8H2,1-4H3
InChIKeyKYDZLQFSBGZSLW-UHFFFAOYSA-N
XLogP2.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile (CID 102983485) is 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile is CCCC(C)OCCC(C#N)NC(C)C.
What is the InChIKey of 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile?
The InChIKey is KYDZLQFSBGZSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-11(4)15-8-7-12(9-13)14-10(2)3/h10-12,14H,5-8H2,1-4H3.
What are the key properties of 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile?
4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 102983485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).