2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile

C10H20N2O — CID 116501961

IUPAC2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile
SMILESCCC(C)NC(C#N)C(C)COC
InChIInChI=1S/C10H20N2O/c1-5-9(3)12-10(6-11)8(2)7-13-4/h8-10,12H,5,7H2,1-4H3
InChIKeyHLQWXSLNCBNSNC-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.55
Rot. Bonds6

About 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile

2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile (PubChem CID 116501961) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile
PubChem CID116501961
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile
SMILESCCC(C)NC(C#N)C(C)COC
InChIInChI=1S/C10H20N2O/c1-5-9(3)12-10(6-11)8(2)7-13-4/h8-10,12H,5,7H2,1-4H3
InChIKeyHLQWXSLNCBNSNC-UHFFFAOYSA-N
XLogP1.55
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptylamino)-4-methoxy-3-methylbutanenitrile
CID 116501957
2-(butan-2-ylamino)pentanenitrile
CID 61023749
2-hydroxy-4-methoxy-3-methylbutanenitrile
CID 116502277
2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile
CID 65048803
2-(diethylamino)-4-methoxy-3-methylbutanenitrile
CID 116502678
2-(3-fluoroanilino)-4-methoxy-3-methylbutanenitrile
CID 116501909
3-(1-methoxypropan-2-ylamino)butanenitrile
CID 60914477
4-methoxy-2-(propan-2-ylamino)butanenitrile
CID 63028987
N-(1-cyano-2-methylbutyl)acetamide
CID 538622
4-[2-methoxyethyl(pentan-3-yl)amino]-2-(propan-2-ylamino)butanenitrile
CID 55144282
N-butan-2-yl-3-methoxybutan-2-amine
CID 115705720
N-(2-methoxyethyl)butan-2-amine
CID 43190188

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile?
The IUPAC name of 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile (CID 116501961) is 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile.
What is the SMILES notation for 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile?
The canonical SMILES for 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile is CCC(C)NC(C#N)C(C)COC.
What is the InChIKey of 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile?
The InChIKey is HLQWXSLNCBNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-9(3)12-10(6-11)8(2)7-13-4/h8-10,12H,5,7H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile?
2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile is sourced from PubChem (CID 116501961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).