2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile

C13H26N4 — CID 63700305

IUPAC2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
SMILESCN(C)CCCN(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C13H26N4/c1-13(10-14,15-12-6-7-12)11-17(4)9-5-8-16(2)3/h12,15H,5-9,11H2,1-4H3
InChIKeyCBWUTEDVNZIHAJ-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.90
Rot. Bonds8

About 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile

2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile (PubChem CID 63700305) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
PubChem CID63700305
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
SMILESCN(C)CCCN(C)CC(C)(C#N)NC1CC1
InChIInChI=1S/C13H26N4/c1-13(10-14,15-12-6-7-12)11-17(4)9-5-8-16(2)3/h12,15H,5-9,11H2,1-4H3
InChIKeyCBWUTEDVNZIHAJ-UHFFFAOYSA-N
XLogP0.90
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile (CID 63700305) is 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile is CN(C)CCCN(C)CC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile?
The InChIKey is CBWUTEDVNZIHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-13(10-14,15-12-6-7-12)11-17(4)9-5-8-16(2)3/h12,15H,5-9,11H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile?
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile has a molecular weight of 238.38 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 63700305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).