2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile

C13H24N4 — CID 55216978

IUPAC2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile
SMILESCCC1CN(CC(C#N)NC2CC2)CCN1C
InChIInChI=1S/C13H24N4/c1-3-13-10-17(7-6-16(13)2)9-12(8-14)15-11-4-5-11/h11-13,15H,3-7,9-10H2,1-2H3
InChIKeyDYSVMNPTCZOIFM-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.66
Rot. Bonds5

About 2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile

2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile (PubChem CID 55216978) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile
PubChem CID55216978
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile
SMILESCCC1CN(CC(C#N)NC2CC2)CCN1C
InChIInChI=1S/C13H24N4/c1-3-13-10-17(7-6-16(13)2)9-12(8-14)15-11-4-5-11/h11-13,15H,3-7,9-10H2,1-2H3
InChIKeyDYSVMNPTCZOIFM-UHFFFAOYSA-N
XLogP0.66
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.66
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-ethyl-4-methylpiperazin-1-yl)propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile (CID 55216978) is 2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile is CCC1CN(CC(C#N)NC2CC2)CCN1C.
What is the InChIKey of 2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile?
The InChIKey is DYSVMNPTCZOIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-13-10-17(7-6-16(13)2)9-12(8-14)15-11-4-5-11/h11-13,15H,3-7,9-10H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile?
2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile has a molecular weight of 236.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 55216978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).