2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile

C15H22N4 — CID 63907936

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile
SMILESCC(C)c1nccn1CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C15H22N4/c1-11(2)14-17-7-8-19(14)10-15(9-16,12-3-4-12)18-13-5-6-13/h7-8,11-13,18H,3-6,10H2,1-2H3
InChIKeyDTDBCRLTASIBEL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.43
Rot. Bonds6

About 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile

2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile (PubChem CID 63907936) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile
PubChem CID63907936
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile
SMILESCC(C)c1nccn1CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C15H22N4/c1-11(2)14-17-7-8-19(14)10-15(9-16,12-3-4-12)18-13-5-6-13/h7-8,11-13,18H,3-6,10H2,1-2H3
InChIKeyDTDBCRLTASIBEL-UHFFFAOYSA-N
XLogP2.43
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile (CID 63907936) is 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile is CC(C)c1nccn1CC(C#N)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile?
The InChIKey is DTDBCRLTASIBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11(2)14-17-7-8-19(14)10-15(9-16,12-3-4-12)18-13-5-6-13/h7-8,11-13,18H,3-6,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile has a molecular weight of 258.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(2-propan-2-ylimidazol-1-yl)propanenitrile is sourced from PubChem (CID 63907936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).