N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine

C10H24N4 — CID 10888935

IUPACN'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCC1NCCN(CCNCCN)C1C
InChIInChI=1S/C10H24N4/c1-9-10(2)14(8-6-13-9)7-5-12-4-3-11/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyUAPJQFLBKWMGSJ-UHFFFAOYSA-N
MW200.33 g/mol
LogP-0.78
Rot. Bonds5

About N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine

N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 10888935) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID10888935
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC NameN'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCC1NCCN(CCNCCN)C1C
InChIInChI=1S/C10H24N4/c1-9-10(2)14(8-6-13-9)7-5-12-4-3-11/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyUAPJQFLBKWMGSJ-UHFFFAOYSA-N
XLogP-0.78
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-aminoethylamino)ethyl]imidazolidine-2-carbaldehyde
CID 174586256
4-(2,3-dimethylpiperazin-1-yl)butan-2-amine
CID 67575967
methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate
CID 120843271
5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 120967134
N'-[2-(4-aminopiperidin-1-yl)ethyl]ethane-1,2-diamine
CID 145422276
N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 86346365
1-(2-aminoethyl)imidazolidine-2-carbaldehyde
CID 174451006
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
N'-[2-(3-ethylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 143093891
1-[(2-bromo-6-fluorophenyl)methyl]-2,3-dimethylpiperazine
CID 120843217
methyl 3-[2-[(2S,5R)-4-(2-aminoethyl)-2,5-dimethylpiperazin-1-yl]ethylamino]propanoate
CID 90208773
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine (CID 10888935) is N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine is CC1NCCN(CCNCCN)C1C.
What is the InChIKey of N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is UAPJQFLBKWMGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-9-10(2)14(8-6-13-9)7-5-12-4-3-11/h9-10,12-13H,3-8,11H2,1-2H3.
What are the key properties of N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of -0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 10888935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).