3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile

C10H20N4 — CID 80505892

IUPAC3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile
SMILESCC(CC#N)N1CCN(C)CC1CN
InChIInChI=1S/C10H20N4/c1-9(3-4-11)14-6-5-13(2)8-10(14)7-12/h9-10H,3,5-8,12H2,1-2H3
InChIKeyRBDXGLBWGTXPQK-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.14
Rot. Bonds3

About 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile

3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile (PubChem CID 80505892) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile
PubChem CID80505892
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile
SMILESCC(CC#N)N1CCN(C)CC1CN
InChIInChI=1S/C10H20N4/c1-9(3-4-11)14-6-5-13(2)8-10(14)7-12/h9-10H,3,5-8,12H2,1-2H3
InChIKeyRBDXGLBWGTXPQK-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

[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747
[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
CID 114868447
[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine
CID 116535695
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butanenitrile
CID 63090584
[1-[1-(2-methoxyphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504267
3-(2-methylazetidin-1-yl)butanenitrile
CID 79687499
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
CID 80506896
[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine
CID 80504272
(4-methyl-1-phosphanylpiperazin-2-yl)methanamine
CID 142243069
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanenitrile
CID 62886111
[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 113437671

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile?
The IUPAC name of 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile (CID 80505892) is 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile.
What is the SMILES notation for 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile?
The canonical SMILES for 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile is CC(CC#N)N1CCN(C)CC1CN.
What is the InChIKey of 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile?
The InChIKey is RBDXGLBWGTXPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-9(3-4-11)14-6-5-13(2)8-10(14)7-12/h9-10H,3,5-8,12H2,1-2H3.
What are the key properties of 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile?
3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile 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 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile is sourced from PubChem (CID 80505892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).