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

C15H28N4 — CID 63634879

IUPAC2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile
SMILESCCC1CN(CCC(C)(C#N)NC2CC2)CCN1C
InChIInChI=1S/C15H28N4/c1-4-14-11-19(10-9-18(14)3)8-7-15(2,12-16)17-13-5-6-13/h13-14,17H,4-11H2,1-3H3
InChIKeyDRWBERKAVRVPCZ-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.44
Rot. Bonds6

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

2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile (PubChem CID 63634879) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile
PubChem CID63634879
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile
SMILESCCC1CN(CCC(C)(C#N)NC2CC2)CCN1C
InChIInChI=1S/C15H28N4/c1-4-14-11-19(10-9-18(14)3)8-7-15(2,12-16)17-13-5-6-13/h13-14,17H,4-11H2,1-3H3
InChIKeyDRWBERKAVRVPCZ-UHFFFAOYSA-N
XLogP1.44
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile (CID 63634879) is 2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile is CCC1CN(CCC(C)(C#N)NC2CC2)CCN1C.
What is the InChIKey of 2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile?
The InChIKey is DRWBERKAVRVPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-14-11-19(10-9-18(14)3)8-7-15(2,12-16)17-13-5-6-13/h13-14,17H,4-11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile?
2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile has a molecular weight of 264.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutanenitrile is sourced from PubChem (CID 63634879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).