N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine

C13H31N5 — CID 126510399

IUPACN,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
SMILESCNCCN(C)CCN(C)CCN1CCNCC1
InChIInChI=1S/C13H31N5/c1-14-4-7-16(2)10-11-17(3)12-13-18-8-5-15-6-9-18/h14-15H,4-13H2,1-3H3
InChIKeyQNGSUIBTAHUTBG-UHFFFAOYSA-N
MW257.43 g/mol
LogP-1.03
Rot. Bonds9

About N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine

N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine (PubChem CID 126510399) has the molecular formula C13H31N5 and a molecular weight of 257.43 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
PubChem CID126510399
Molecular FormulaC13H31N5
Molecular Weight257.43 g/mol
Exact Mass257.26
IUPAC NameN,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
SMILESCNCCN(C)CCN(C)CCN1CCNCC1
InChIInChI=1S/C13H31N5/c1-14-4-7-16(2)10-11-17(3)12-13-18-8-5-15-6-9-18/h14-15H,4-13H2,1-3H3
InChIKeyQNGSUIBTAHUTBG-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

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Related Compounds

N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
N,N'-dimethyl-N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 43374410
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
N-methyl-N-(2-piperazin-1-ylethyl)nonan-1-amine
CID 63265554
N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63265346
N'-methyl-N'-[2-(2-piperazin-1-ylethylamino)ethyl]ethane-1,2-diamine;molecular hydrogen
CID 143986937
3-ethylsulfonyl-N-methyl-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 65098202
N-methyl-2-piperazin-1-yl-N-(2-pyrazol-1-ylethyl)ethanamine
CID 63266461
2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63266542
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylethanamine
CID 63236887
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine (CID 126510399) is N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine is CNCCN(C)CCN(C)CCN1CCNCC1.
What is the InChIKey of N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is QNGSUIBTAHUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N5/c1-14-4-7-16(2)10-11-17(3)12-13-18-8-5-15-6-9-18/h14-15H,4-13H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine?
N,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-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,N'-dimethyl-N'-[2-[methyl(2-piperazin-1-ylethyl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 126510399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).