2-[methyl(3-methylbutyl)amino]acetonitrile

C8H16N2 — CID 21355365

IUPAC2-[methyl(3-methylbutyl)amino]acetonitrile
SMILESCC(C)CCN(C)CC#N
InChIInChI=1S/C8H16N2/c1-8(2)4-6-10(3)7-5-9/h8H,4,6-7H2,1-3H3
InChIKeyXVWIZQRDBHASGT-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds4

About 2-[methyl(3-methylbutyl)amino]acetonitrile

2-[methyl(3-methylbutyl)amino]acetonitrile (PubChem CID 21355365) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[methyl(3-methylbutyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl(3-methylbutyl)amino]acetonitrile
PubChem CID21355365
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-[methyl(3-methylbutyl)amino]acetonitrile
SMILESCC(C)CCN(C)CC#N
InChIInChI=1S/C8H16N2/c1-8(2)4-6-10(3)7-5-9/h8H,4,6-7H2,1-3H3
InChIKeyXVWIZQRDBHASGT-UHFFFAOYSA-N
XLogP1.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
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(3-methylbutyl)amino]acetonitrile?
The IUPAC name of 2-[methyl(3-methylbutyl)amino]acetonitrile (CID 21355365) is 2-[methyl(3-methylbutyl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl(3-methylbutyl)amino]acetonitrile?
The canonical SMILES for 2-[methyl(3-methylbutyl)amino]acetonitrile is CC(C)CCN(C)CC#N.
What is the InChIKey of 2-[methyl(3-methylbutyl)amino]acetonitrile?
The InChIKey is XVWIZQRDBHASGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2)4-6-10(3)7-5-9/h8H,4,6-7H2,1-3H3.
What are the key properties of 2-[methyl(3-methylbutyl)amino]acetonitrile?
2-[methyl(3-methylbutyl)amino]acetonitrile has a molecular weight of 140.23 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbutyl)amino]acetonitrile is sourced from PubChem (CID 21355365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).