2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile

C11H20N2 — CID 79358076

IUPAC2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile
SMILESCC(C#N)CNC1C(C)(C)C1(C)C
InChIInChI=1S/C11H20N2/c1-8(6-12)7-13-9-10(2,3)11(9,4)5/h8-9,13H,7H2,1-5H3
InChIKeyKCKUWOPKFXIVSO-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile

2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile (PubChem CID 79358076) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile
PubChem CID79358076
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile
SMILESCC(C#N)CNC1C(C)(C)C1(C)C
InChIInChI=1S/C11H20N2/c1-8(6-12)7-13-9-10(2,3)11(9,4)5/h8-9,13H,7H2,1-5H3
InChIKeyKCKUWOPKFXIVSO-UHFFFAOYSA-N
XLogP2.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile (CID 79358076) is 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile is CC(C#N)CNC1C(C)(C)C1(C)C.
What is the InChIKey of 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile?
The InChIKey is KCKUWOPKFXIVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(6-12)7-13-9-10(2,3)11(9,4)5/h8-9,13H,7H2,1-5H3.
What are the key properties of 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile?
2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propanenitrile is sourced from PubChem (CID 79358076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).