2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile

C17H32N4 — CID 63912235

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCN(C)C)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C17H32N4/c1-14(2)11-21(10-9-20(3)4)13-17(12-18,15-5-6-15)19-16-7-8-16/h14-16,19H,5-11,13H2,1-4H3
InChIKeyNAJUYRQMLREIBJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.93
Rot. Bonds10

About 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile

2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile (PubChem CID 63912235) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile
PubChem CID63912235
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCN(C)C)CC(C#N)(NC1CC1)C1CC1
InChIInChI=1S/C17H32N4/c1-14(2)11-21(10-9-20(3)4)13-17(12-18,15-5-6-15)19-16-7-8-16/h14-16,19H,5-11,13H2,1-4H3
InChIKeyNAJUYRQMLREIBJ-UHFFFAOYSA-N
XLogP1.93
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.93
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-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile (CID 63912235) is 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCN(C)C)CC(C#N)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile?
The InChIKey is NAJUYRQMLREIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-14(2)11-21(10-9-20(3)4)13-17(12-18,15-5-6-15)19-16-7-8-16/h14-16,19H,5-11,13H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile?
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile has a molecular weight of 292.47 g/mol, XLogP of 1.93, 10 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-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 63912235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).