4-methoxy-2-(propan-2-ylamino)butanenitrile

C8H16N2O — CID 63028987

IUPAC4-methoxy-2-(propan-2-ylamino)butanenitrile
SMILESCOCCC(C#N)NC(C)C
InChIInChI=1S/C8H16N2O/c1-7(2)10-8(6-9)4-5-11-3/h7-8,10H,4-5H2,1-3H3
InChIKeyVTCOAQKJTWSLTI-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.91
Rot. Bonds5

About 4-methoxy-2-(propan-2-ylamino)butanenitrile

4-methoxy-2-(propan-2-ylamino)butanenitrile (PubChem CID 63028987) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-methoxy-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-methoxy-2-(propan-2-ylamino)butanenitrile
PubChem CID63028987
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-methoxy-2-(propan-2-ylamino)butanenitrile
SMILESCOCCC(C#N)NC(C)C
InChIInChI=1S/C8H16N2O/c1-7(2)10-8(6-9)4-5-11-3/h7-8,10H,4-5H2,1-3H3
InChIKeyVTCOAQKJTWSLTI-UHFFFAOYSA-N
XLogP0.91
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypropoxy)-2-(propan-2-ylamino)butanenitrile
CID 63028578
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
CID 55144282
4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile
CID 102983485
4-pentoxy-2-(propan-2-ylamino)butanenitrile
CID 63029610
4-heptoxy-2-(propan-2-ylamino)butanenitrile
CID 63029359
4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63028231
4-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanenitrile
CID 114341989
4-(oxan-4-yloxy)-2-(propan-2-ylamino)butanenitrile
CID 63055085
4-(2-fluorophenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63027275
4-(2,3-dimethylphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63027852
3-methoxy-1-(propan-2-ylamino)propan-1-ol
CID 138550346
4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63028721

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-methoxy-2-(propan-2-ylamino)butanenitrile (CID 63028987) is 4-methoxy-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-methoxy-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-methoxy-2-(propan-2-ylamino)butanenitrile is COCCC(C#N)NC(C)C.
What is the InChIKey of 4-methoxy-2-(propan-2-ylamino)butanenitrile?
The InChIKey is VTCOAQKJTWSLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(2)10-8(6-9)4-5-11-3/h7-8,10H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-2-(propan-2-ylamino)butanenitrile?
4-methoxy-2-(propan-2-ylamino)butanenitrile has a molecular weight of 156.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63028987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).