2-(diethylamino)-4-methoxy-3-methylbutanenitrile

C10H20N2O — CID 116502678

IUPAC2-(diethylamino)-4-methoxy-3-methylbutanenitrile
SMILESCCN(CC)C(C#N)C(C)COC
InChIInChI=1S/C10H20N2O/c1-5-12(6-2)10(7-11)9(3)8-13-4/h9-10H,5-6,8H2,1-4H3
InChIKeyWNIHYPZBKTZZAS-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.50
Rot. Bonds6

About 2-(diethylamino)-4-methoxy-3-methylbutanenitrile

2-(diethylamino)-4-methoxy-3-methylbutanenitrile (PubChem CID 116502678) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(diethylamino)-4-methoxy-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(diethylamino)-4-methoxy-3-methylbutanenitrile
PubChem CID116502678
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(diethylamino)-4-methoxy-3-methylbutanenitrile
SMILESCCN(CC)C(C#N)C(C)COC
InChIInChI=1S/C10H20N2O/c1-5-12(6-2)10(7-11)9(3)8-13-4/h9-10H,5-6,8H2,1-4H3
InChIKeyWNIHYPZBKTZZAS-UHFFFAOYSA-N
XLogP1.50
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[bis(cyanomethyl)amino]-3-methylpentanenitrile
CID 18664112
2-hydroxy-4-methoxy-3-methylbutanenitrile
CID 116502277
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile
CID 63030258
2-(butan-2-ylamino)-4-methoxy-3-methylbutanenitrile
CID 116501961
3-[1-methoxypropan-2-yl(methyl)amino]butanenitrile
CID 61451257
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
CID 61448617
2-(methoxymethyl)-4-methyloctanenitrile
CID 170183796
N-(1,3-dimethoxypropan-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 142902659
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
(2S)-2,3-dimethoxypropanenitrile
CID 92976102
(2R)-2-amino-3-methoxypropanenitrile
CID 94047442
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-methoxy-3-methylbutanenitrile?
The IUPAC name of 2-(diethylamino)-4-methoxy-3-methylbutanenitrile (CID 116502678) is 2-(diethylamino)-4-methoxy-3-methylbutanenitrile.
What is the SMILES notation for 2-(diethylamino)-4-methoxy-3-methylbutanenitrile?
The canonical SMILES for 2-(diethylamino)-4-methoxy-3-methylbutanenitrile is CCN(CC)C(C#N)C(C)COC.
What is the InChIKey of 2-(diethylamino)-4-methoxy-3-methylbutanenitrile?
The InChIKey is WNIHYPZBKTZZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-12(6-2)10(7-11)9(3)8-13-4/h9-10H,5-6,8H2,1-4H3.
What are the key properties of 2-(diethylamino)-4-methoxy-3-methylbutanenitrile?
2-(diethylamino)-4-methoxy-3-methylbutanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-methoxy-3-methylbutanenitrile is sourced from PubChem (CID 116502678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).