N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine

C12H28N4 — CID 63695224

IUPACN,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
SMILESCN(C)CCCN(C)CCN1CCNCC1
InChIInChI=1S/C12H28N4/c1-14(2)7-4-8-15(3)11-12-16-9-5-13-6-10-16/h13H,4-12H2,1-3H3
InChIKeyFDMGGGWELYRFPA-UHFFFAOYSA-N
MW228.38 g/mol
LogP-0.22
Rot. Bonds7

About N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine

N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine (PubChem CID 63695224) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
PubChem CID63695224
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC NameN,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
SMILESCN(C)CCCN(C)CCN1CCNCC1
InChIInChI=1S/C12H28N4/c1-14(2)7-4-8-15(3)11-12-16-9-5-13-6-10-16/h13H,4-12H2,1-3H3
InChIKeyFDMGGGWELYRFPA-UHFFFAOYSA-N
XLogP-0.22
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 65098202
N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 126510399
N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63265346
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N,2,2-trimethyl-N-(4-piperazin-1-ylbutyl)propan-1-amine
CID 115240395
2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63266542
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
N-methyl-N-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-piperazin-1-ylbutan-1-amine
CID 170390265

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine (CID 63695224) is N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine is CN(C)CCCN(C)CCN1CCNCC1.
What is the InChIKey of N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine?
The InChIKey is FDMGGGWELYRFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-14(2)7-4-8-15(3)11-12-16-9-5-13-6-10-16/h13H,4-12H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine?
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 63695224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).