N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine

C8H21N5 — CID 58743576

IUPACN'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine
SMILESCN(CN)N1CCN(CCN)CC1
InChIInChI=1S/C8H21N5/c1-11(8-10)13-6-4-12(3-2-9)5-7-13/h2-10H2,1H3
InChIKeyNAYNYZBZFPPTIJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-1.67
Rot. Bonds4

About N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine

N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine (PubChem CID 58743576) has the molecular formula C8H21N5 and a molecular weight of 187.29 g/mol. Its IUPAC name is N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine
PubChem CID58743576
Molecular FormulaC8H21N5
Molecular Weight187.29 g/mol
Exact Mass187.18
IUPAC NameN'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine
SMILESCN(CN)N1CCN(CCN)CC1
InChIInChI=1S/C8H21N5/c1-11(8-10)13-6-4-12(3-2-9)5-7-13/h2-10H2,1H3
InChIKeyNAYNYZBZFPPTIJ-UHFFFAOYSA-N
XLogP-1.67
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(aziridin-1-yl)ethanamine;dichloronickel
CID 15821369
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
2-(4-iodopiperazin-1-yl)ethanamine
CID 89179522
2-[4-(methoxymethyl)piperazin-1-yl]ethanamine
CID 176691327
2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine
CID 160876029
2-[4-(2-aminoethyl)piperazin-1-yl]ethanamine;2,6-dimethylpiperazine
CID 161349261
2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine
CID 164877002
2-[4-[2-(2,2-diethylhydrazinyl)ethyl]piperazin-1-yl]ethanamine
CID 118243574
1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 45117280
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine?
The IUPAC name of N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine (CID 58743576) is N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine?
The canonical SMILES for N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine is CN(CN)N1CCN(CCN)CC1.
What is the InChIKey of N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine?
The InChIKey is NAYNYZBZFPPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5/c1-11(8-10)13-6-4-12(3-2-9)5-7-13/h2-10H2,1H3.
What are the key properties of N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine?
N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine has a molecular weight of 187.29 g/mol, XLogP of -1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-aminoethyl)piperazin-1-yl]-N'-methylmethanediamine is sourced from PubChem (CID 58743576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).