2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile

C12H22N2 — CID 116913843

IUPAC2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)C(C1CCC1)N(C)C
InChIInChI=1S/C12H22N2/c1-9(2)11(8-13)12(14(3)4)10-6-5-7-10/h9-12H,5-7H2,1-4H3
InChIKeyZWZTVCYTMODQPM-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.51
Rot. Bonds4

About 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile

2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile (PubChem CID 116913843) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile
PubChem CID116913843
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)C(C1CCC1)N(C)C
InChIInChI=1S/C12H22N2/c1-9(2)11(8-13)12(14(3)4)10-6-5-7-10/h9-12H,5-7H2,1-4H3
InChIKeyZWZTVCYTMODQPM-UHFFFAOYSA-N
XLogP2.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913834
3-amino-1-cyclobutyl-1-(dimethylamino)propan-2-ol
CID 116911788
2-cyclobutyl-3-fluorobutanenitrile
CID 105428237
2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254419
(2S)-2-cyclobutyl-2-hydroxyacetonitrile
CID 130129350
2-(cyclobutylmethyl)-3-methylbutanenitrile
CID 116931782
3-methyl-2-[methylamino-(1-methylpiperidin-3-yl)methyl]butanenitrile
CID 116960745
(3R)-3-cyclopentylbutanenitrile
CID 142587124
2-cyclobutyl-3-hydroxypropanenitrile
CID 130825649
2-cyclobutyl-2-(dimethylamino)ethanol
CID 116857326
1-cyclopentyl-N',N'-dimethylmethanediamine
CID 116909168
1-cyclobutyl-2,3-dimethylbutan-1-ol
CID 115837893

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile?
The IUPAC name of 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile (CID 116913843) is 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile is CC(C)C(C#N)C(C1CCC1)N(C)C.
What is the InChIKey of 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile?
The InChIKey is ZWZTVCYTMODQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)11(8-13)12(14(3)4)10-6-5-7-10/h9-12H,5-7H2,1-4H3.
What are the key properties of 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile?
2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile is sourced from PubChem (CID 116913843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).