4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile

C11H22N2 — CID 65251542

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

About 4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile

4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile (PubChem CID 65251542) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
PubChem CID65251542
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
SMILESCCC(C)N(C)CCC(C)(C)C#N
InChIInChI=1S/C11H22N2/c1-6-10(2)13(5)8-7-11(3,4)9-12/h10H,6-8H2,1-5H3
InChIKeySCLWHKKBRHMCJD-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

CID 83775
CID 83775
CID 140520
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CID 13446503
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CID 65251886
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CID 13464692
CID 13464692
CID 15063432
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CID 101782010
CID 101782010
CID 16748472
CID 16748472
CID 21336414
CID 21336414
CID 43430773
CID 43430773
CID 56617331
CID 56617331
CID 58029648
CID 58029648

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile (CID 65251542) is 4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile is CCC(C)N(C)CCC(C)(C)C#N.
What is the InChIKey of 4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile?
The InChIKey is SCLWHKKBRHMCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-10(2)13(5)8-7-11(3,4)9-12/h10H,6-8H2,1-5H3.
What are the key properties of 4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile?
4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile 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-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).