2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile

C15H30N4 — CID 63698921

IUPAC2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile
SMILESCN(C)CCCN(C)CCCC(C)(C#N)NC1CC1
InChIInChI=1S/C15H30N4/c1-15(13-16,17-14-7-8-14)9-5-11-19(4)12-6-10-18(2)3/h14,17H,5-12H2,1-4H3
InChIKeyCPNQITOKRVSZMB-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.68
Rot. Bonds10

About 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile

2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile (PubChem CID 63698921) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile
PubChem CID63698921
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile
SMILESCN(C)CCCN(C)CCCC(C)(C#N)NC1CC1
InChIInChI=1S/C15H30N4/c1-15(13-16,17-14-7-8-14)9-5-11-19(4)12-6-10-18(2)3/h14,17H,5-12H2,1-4H3
InChIKeyCPNQITOKRVSZMB-UHFFFAOYSA-N
XLogP1.68
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile (CID 63698921) is 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile is CN(C)CCCN(C)CCCC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile?
The InChIKey is CPNQITOKRVSZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-15(13-16,17-14-7-8-14)9-5-11-19(4)12-6-10-18(2)3/h14,17H,5-12H2,1-4H3.
What are the key properties of 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile?
2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile has a molecular weight of 266.43 g/mol, XLogP of 1.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile is sourced from PubChem (CID 63698921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).