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

C10H20N4 — CID 63635758

IUPAC2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
SMILESCCN1CCN(CC(N)C#N)CC1C
InChIInChI=1S/C10H20N4/c1-3-14-5-4-13(7-9(14)2)8-10(12)6-11/h9-10H,3-5,7-8,12H2,1-2H3
InChIKeyRYJIHQBBAGZBDZ-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.14
Rot. Bonds3

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

2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile (PubChem CID 63635758) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
PubChem CID63635758
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
SMILESCCN1CCN(CC(N)C#N)CC1C
InChIInChI=1S/C10H20N4/c1-3-14-5-4-13(7-9(14)2)8-10(12)6-11/h9-10H,3-5,7-8,12H2,1-2H3
InChIKeyRYJIHQBBAGZBDZ-UHFFFAOYSA-N
XLogP-0.14
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile
CID 63635760
1-chloro-3-(4-ethyl-3-methylpiperazin-1-yl)propan-2-ol
CID 112561665
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propan-1-amine
CID 63604012
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methylphenyl)ethanamine
CID 63611043
1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
CID 55216953
2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63634441
2-amino-4-(3,4,5-trimethylpiperazin-1-yl)butanenitrile
CID 114539222
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
CID 62772513
3-(4-ethyl-3-methylpiperazin-1-yl)-2-(propylamino)propanamide
CID 63635414
ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
CID 63635250
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63620539
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(propylamino)butanenitrile
CID 63635579

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile?
The IUPAC name of 2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile (CID 63635758) is 2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile is CCN1CCN(CC(N)C#N)CC1C.
What is the InChIKey of 2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile?
The InChIKey is RYJIHQBBAGZBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-14-5-4-13(7-9(14)2)8-10(12)6-11/h9-10H,3-5,7-8,12H2,1-2H3.
What are the key properties of 2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile?
2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile has a molecular weight of 196.30 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-ethyl-3-methylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 63635758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).