2-[methyl(2-methylbutan-2-yl)amino]acetonitrile

C8H16N2 — CID 63981245

IUPAC2-[methyl(2-methylbutan-2-yl)amino]acetonitrile
SMILESCCC(C)(C)N(C)CC#N
InChIInChI=1S/C8H16N2/c1-5-8(2,3)10(4)7-6-9/h5,7H2,1-4H3
InChIKeyNUNWFLQSABIVKR-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.63
Rot. Bonds3

About 2-[methyl(2-methylbutan-2-yl)amino]acetonitrile

2-[methyl(2-methylbutan-2-yl)amino]acetonitrile (PubChem CID 63981245) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[methyl(2-methylbutan-2-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl(2-methylbutan-2-yl)amino]acetonitrile
PubChem CID63981245
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-[methyl(2-methylbutan-2-yl)amino]acetonitrile
SMILESCCC(C)(C)N(C)CC#N
InChIInChI=1S/C8H16N2/c1-5-8(2,3)10(4)7-6-9/h5,7H2,1-4H3
InChIKeyNUNWFLQSABIVKR-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.63
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-[methyl(2-methylbutan-2-yl)amino]acetonitrile?
The IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]acetonitrile (CID 63981245) is 2-[methyl(2-methylbutan-2-yl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl(2-methylbutan-2-yl)amino]acetonitrile?
The canonical SMILES for 2-[methyl(2-methylbutan-2-yl)amino]acetonitrile is CCC(C)(C)N(C)CC#N.
What is the InChIKey of 2-[methyl(2-methylbutan-2-yl)amino]acetonitrile?
The InChIKey is NUNWFLQSABIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-8(2,3)10(4)7-6-9/h5,7H2,1-4H3.
What are the key properties of 2-[methyl(2-methylbutan-2-yl)amino]acetonitrile?
2-[methyl(2-methylbutan-2-yl)amino]acetonitrile has a molecular weight of 140.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutan-2-yl)amino]acetonitrile is sourced from PubChem (CID 63981245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).