N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine

C12H28N4 — CID 3016546

IUPACN,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)CCN1CCN(C)CC1
InChIInChI=1S/C12H28N4/c1-13(2)5-6-14(3)7-10-16-11-8-15(4)9-12-16/h5-12H2,1-4H3
InChIKeyUWSIMPSCFKSEFA-UHFFFAOYSA-N
MW228.38 g/mol
LogP-0.27
Rot. Bonds6

About N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 3016546) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID3016546
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC NameN,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCN(C)CCN(C)CCN1CCN(C)CC1
InChIInChI=1S/C12H28N4/c1-13(2)5-6-14(3)7-10-16-11-8-15(4)9-12-16/h5-12H2,1-4H3
InChIKeyUWSIMPSCFKSEFA-UHFFFAOYSA-N
XLogP-0.27
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine (CID 3016546) is N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine is CN(C)CCN(C)CCN1CCN(C)CC1.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is UWSIMPSCFKSEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-13(2)5-6-14(3)7-10-16-11-8-15(4)9-12-16/h5-12H2,1-4H3.
What are the key properties of N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of -0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 3016546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).