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

C7H14N2 — CID 59151740

IUPAC2-[tert-butyl(methyl)amino]acetonitrile
SMILESCN(CC#N)C(C)(C)C
InChIInChI=1S/C7H14N2/c1-7(2,3)9(4)6-5-8/h6H2,1-4H3
InChIKeyCBKXXKTUGZWUJR-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.24
Rot. Bonds1

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

2-[tert-butyl(methyl)amino]acetonitrile (PubChem CID 59151740) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[tert-butyl(methyl)amino]acetonitrile
PubChem CID59151740
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-[tert-butyl(methyl)amino]acetonitrile
SMILESCN(CC#N)C(C)(C)C
InChIInChI=1S/C7H14N2/c1-7(2,3)9(4)6-5-8/h6H2,1-4H3
InChIKeyCBKXXKTUGZWUJR-UHFFFAOYSA-N
XLogP1.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)amino]acetonitrile?
The IUPAC name of 2-[tert-butyl(methyl)amino]acetonitrile (CID 59151740) is 2-[tert-butyl(methyl)amino]acetonitrile.
What is the SMILES notation for 2-[tert-butyl(methyl)amino]acetonitrile?
The canonical SMILES for 2-[tert-butyl(methyl)amino]acetonitrile is CN(CC#N)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(methyl)amino]acetonitrile?
The InChIKey is CBKXXKTUGZWUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2,3)9(4)6-5-8/h6H2,1-4H3.
What are the key properties of 2-[tert-butyl(methyl)amino]acetonitrile?
2-[tert-butyl(methyl)amino]acetonitrile has a molecular weight of 126.20 g/mol, XLogP of 1.24, 1 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]acetonitrile is sourced from PubChem (CID 59151740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).