2-(cyclopropylamino)-2-methylpropanenitrile

C7H12N2 — CID 2530247

IUPAC2-(cyclopropylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NC1CC1
InChIInChI=1S/C7H12N2/c1-7(2,5-8)9-6-3-4-6/h6,9H,3-4H2,1-2H3
InChIKeySBWSWYVBEZGYLW-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.04
Rot. Bonds2

About 2-(cyclopropylamino)-2-methylpropanenitrile

2-(cyclopropylamino)-2-methylpropanenitrile (PubChem CID 2530247) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methylpropanenitrile
PubChem CID2530247
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-(cyclopropylamino)-2-methylpropanenitrile
SMILESCC(C)(C#N)NC1CC1
InChIInChI=1S/C7H12N2/c1-7(2,5-8)9-6-3-4-6/h6,9H,3-4H2,1-2H3
InChIKeySBWSWYVBEZGYLW-UHFFFAOYSA-N
XLogP1.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methylpropanenitrile (CID 2530247) is 2-(cyclopropylamino)-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methylpropanenitrile is CC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methylpropanenitrile?
The InChIKey is SBWSWYVBEZGYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(2,5-8)9-6-3-4-6/h6,9H,3-4H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methylpropanenitrile?
2-(cyclopropylamino)-2-methylpropanenitrile has a molecular weight of 124.19 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methylpropanenitrile is sourced from PubChem (CID 2530247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).