2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine

C9H22N4 — CID 83011257

IUPAC2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine
SMILESCCC(CN)NN1CCN(C)CC1
InChIInChI=1S/C9H22N4/c1-3-9(8-10)11-13-6-4-12(2)5-7-13/h9,11H,3-8,10H2,1-2H3
InChIKeyFGQLTKAEODBWIN-UHFFFAOYSA-N
MW186.30 g/mol
LogP-0.52
Rot. Bonds4

About 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine

2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine (PubChem CID 83011257) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine
PubChem CID83011257
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine
SMILESCCC(CN)NN1CCN(C)CC1
InChIInChI=1S/C9H22N4/c1-3-9(8-10)11-13-6-4-12(2)5-7-13/h9,11H,3-8,10H2,1-2H3
InChIKeyFGQLTKAEODBWIN-UHFFFAOYSA-N
XLogP-0.52
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol
CID 104711122
2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine
CID 83011355
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
CID 83010931
(2R)-2-N-methylbutane-1,2-diamine
CID 94343241
3-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 83019834
N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 83010621
4-methyl-N-(4-methylpentan-2-yl)piperazin-1-amine
CID 83010481
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011011
2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine
CID 83011142
1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011979
1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011867

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine?
The IUPAC name of 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine (CID 83011257) is 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine?
The canonical SMILES for 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine is CCC(CN)NN1CCN(C)CC1.
What is the InChIKey of 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine?
The InChIKey is FGQLTKAEODBWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-3-9(8-10)11-13-6-4-12(2)5-7-13/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine?
2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine is sourced from PubChem (CID 83011257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).