2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile

C9H18N2 — CID 60750932

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile
SMILESCC(N(C)CC#N)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(9(2,3)4)11(5)7-6-10/h8H,7H2,1-5H3
InChIKeyLIYYCPHRADRBJD-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds2

About 2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile

2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile (PubChem CID 60750932) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile
PubChem CID60750932
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile
SMILESCC(N(C)CC#N)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(9(2,3)4)11(5)7-6-10/h8H,7H2,1-5H3
InChIKeyLIYYCPHRADRBJD-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile (CID 60750932) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile is CC(N(C)CC#N)C(C)(C)C.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile?
The InChIKey is LIYYCPHRADRBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(9(2,3)4)11(5)7-6-10/h8H,7H2,1-5H3.
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile?
2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile has a molecular weight of 154.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]acetonitrile is sourced from PubChem (CID 60750932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).