4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile

C11H22N2 — CID 123736635

IUPAC4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile
SMILESCCC(CC(C)(C)C#N)N(C)CC
InChIInChI=1S/C11H22N2/c1-6-10(13(5)7-2)8-11(3,4)9-12/h10H,6-8H2,1-5H3
InChIKeyLCIMDFGPONLSAU-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.66
Rot. Bonds5

About 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile

4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile (PubChem CID 123736635) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile
PubChem CID123736635
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile
SMILESCCC(CC(C)(C)C#N)N(C)CC
InChIInChI=1S/C11H22N2/c1-6-10(13(5)7-2)8-11(3,4)9-12/h10H,6-8H2,1-5H3
InChIKeyLCIMDFGPONLSAU-UHFFFAOYSA-N
XLogP2.66
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile
CID 106709842
4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 65251542
2,2-dimethylbutanenitrile;ethane
CID 144998313
1-chloro-N-ethyl-N-methylbutan-2-amine
CID 130629325
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
methyl(pentan-3-yl)cyanamide
CID 87839420
2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720
(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine
CID 166869742
N-ethyl-N-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 142940994
(3S)-3-hydroxy-2,2,5,5-tetramethylhexanedinitrile
CID 166777724
2,2,4-trimethylhexanedinitrile
CID 59281697
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile (CID 123736635) is 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile is CCC(CC(C)(C)C#N)N(C)CC.
What is the InChIKey of 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile?
The InChIKey is LCIMDFGPONLSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-10(13(5)7-2)8-11(3,4)9-12/h10H,6-8H2,1-5H3.
What are the key properties of 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile?
4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile has a molecular weight of 182.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 123736635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).