N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine

C13H31N5 — CID 130246433

IUPACN'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H31N5/c1-14-4-5-15-6-7-17-10-12-18(13-11-17)9-8-16(2)3/h14-15H,4-13H2,1-3H3
InChIKeyWZRWCYKYKNKTJA-UHFFFAOYSA-N
MW257.43 g/mol
LogP-1.03
Rot. Bonds9

About N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine

N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine (PubChem CID 130246433) has the molecular formula C13H31N5 and a molecular weight of 257.43 g/mol. Its IUPAC name is N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
PubChem CID130246433
Molecular FormulaC13H31N5
Molecular Weight257.43 g/mol
Exact Mass257.26
IUPAC NameN'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H31N5/c1-14-4-5-15-6-7-17-10-12-18(13-11-17)9-8-16(2)3/h14-15H,4-13H2,1-3H3
InChIKeyWZRWCYKYKNKTJA-UHFFFAOYSA-N
XLogP-1.03
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine (CID 130246433) is N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine is CNCCNCCN1CCN(CCN(C)C)CC1.
What is the InChIKey of N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine?
The InChIKey is WZRWCYKYKNKTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N5/c1-14-4-5-15-6-7-17-10-12-18(13-11-17)9-8-16(2)3/h14-15H,4-13H2,1-3H3.
What are the key properties of N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine?
N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine has a molecular weight of 257.43 g/mol, XLogP of -1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 130246433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).