2-amino-2,3,3-trimethylbutanenitrile

C7H14N2 — CID 15683375

IUPAC2-amino-2,3,3-trimethylbutanenitrile
SMILESCC(C)(C)C(C)(N)C#N
InChIInChI=1S/C7H14N2/c1-6(2,3)7(4,9)5-8/h9H2,1-4H3
InChIKeyRYHBMXCSCBXLJT-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.27
Rot. Bonds

About 2-amino-2,3,3-trimethylbutanenitrile

2-amino-2,3,3-trimethylbutanenitrile (PubChem CID 15683375) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-amino-2,3,3-trimethylbutanenitrile.

Molecular Properties

Compound Name2-amino-2,3,3-trimethylbutanenitrile
PubChem CID15683375
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-amino-2,3,3-trimethylbutanenitrile
SMILESCC(C)(C)C(C)(N)C#N
InChIInChI=1S/C7H14N2/c1-6(2,3)7(4,9)5-8/h9H2,1-4H3
InChIKeyRYHBMXCSCBXLJT-UHFFFAOYSA-N
XLogP1.27
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-2,3-dimethylbutyronitrile
CID 94355
2-Amino-2-methylbutyronitrile
CID 15576830
2-Amino-2-methylbutanenitrile hydrochloride
CID 20535660
3-Amino-3-methylbutanenitrile hydrochloride
CID 167722692
3-Amino-3-methylbutanenitrile
CID 78229
SH5Kfx2EE4
CID 735790
TD2Z4Qet2A
CID 735791
2,3-Dimethyl-2-aminobutyronitrile hydrochloride
CID 12945444
Butanedinitrile, 2,3-diamino-2,3-dimethyl-
CID 550046
2-Amino-2-ethylpropanedinitrile
CID 13054977
(2R)-2-amino-2,3-dimethylbutanenitrile;hydrochloride
CID 18436311
(2S)-2-amino-2,3-dimethylbutanenitrile;hydrochloride
CID 18436320

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,3-trimethylbutanenitrile?
The IUPAC name of 2-amino-2,3,3-trimethylbutanenitrile (CID 15683375) is 2-amino-2,3,3-trimethylbutanenitrile.
What is the SMILES notation for 2-amino-2,3,3-trimethylbutanenitrile?
The canonical SMILES for 2-amino-2,3,3-trimethylbutanenitrile is CC(C)(C)C(C)(N)C#N.
What is the InChIKey of 2-amino-2,3,3-trimethylbutanenitrile?
The InChIKey is RYHBMXCSCBXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2,3)7(4,9)5-8/h9H2,1-4H3.
What are the key properties of 2-amino-2,3,3-trimethylbutanenitrile?
2-amino-2,3,3-trimethylbutanenitrile has a molecular weight of 126.20 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,3-trimethylbutanenitrile is sourced from PubChem (CID 15683375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).