2-[tert-butyl(methyl)amino]butanenitrile

C9H18N2 — CID 131042898

IUPAC2-[tert-butyl(methyl)amino]butanenitrile
SMILESCCC(C#N)N(C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-8(7-10)11(5)9(2,3)4/h8H,6H2,1-5H3
InChIKeyDYMGKYBDIBAFKH-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.02
Rot. Bonds2

About 2-[tert-butyl(methyl)amino]butanenitrile

2-[tert-butyl(methyl)amino]butanenitrile (PubChem CID 131042898) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)amino]butanenitrile.

Molecular Properties

Compound Name2-[tert-butyl(methyl)amino]butanenitrile
PubChem CID131042898
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-[tert-butyl(methyl)amino]butanenitrile
SMILESCCC(C#N)N(C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-8(7-10)11(5)9(2,3)4/h8H,6H2,1-5H3
InChIKeyDYMGKYBDIBAFKH-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanopropyl)-N-methylsulfamoyl chloride
CID 165441442
N-(1-cyanopropyl)-N-ethylcarbamoyl fluoride
CID 145324405
methyl 2-[1-cyanopropyl(methyl)amino]acetate
CID 62026696
2-[tert-butyl(ethyl)amino]propanenitrile
CID 130756537
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanenitrile
CID 105414725
2-N-tert-butyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 18340921
2,2-dimethylbutanenitrile;ethane
CID 144998313
2-selanylbutanenitrile
CID 175358380
N-tert-butyl-N,5,5-trimethyl-4-methylidenehexan-3-amine
CID 170179650
2-(N-ethylanilino)butanenitrile
CID 21413076
2,2-dimethylbutanenitrile;2,2-dimethylpropanenitrile
CID 159256086
3-(dimethylamino)-2-ethylpentanenitrile
CID 116913659

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)amino]butanenitrile?
The IUPAC name of 2-[tert-butyl(methyl)amino]butanenitrile (CID 131042898) is 2-[tert-butyl(methyl)amino]butanenitrile.
What is the SMILES notation for 2-[tert-butyl(methyl)amino]butanenitrile?
The canonical SMILES for 2-[tert-butyl(methyl)amino]butanenitrile is CCC(C#N)N(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(methyl)amino]butanenitrile?
The InChIKey is DYMGKYBDIBAFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-8(7-10)11(5)9(2,3)4/h8H,6H2,1-5H3.
What are the key properties of 2-[tert-butyl(methyl)amino]butanenitrile?
2-[tert-butyl(methyl)amino]butanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methyl)amino]butanenitrile is sourced from PubChem (CID 131042898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).