N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine

C13H30N4 — CID 82889621

IUPACN'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine
SMILESCCN(CCN1CCN(C)CC1)CC(C)CN
InChIInChI=1S/C13H30N4/c1-4-16(12-13(2)11-14)9-10-17-7-5-15(3)6-8-17/h13H,4-12,14H2,1-3H3
InChIKeyWCBUGTZFBNTXBX-UHFFFAOYSA-N
MW242.41 g/mol
LogP0.15
Rot. Bonds7

About N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine

N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine (PubChem CID 82889621) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine
PubChem CID82889621
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC NameN'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine
SMILESCCN(CCN1CCN(C)CC1)CC(C)CN
InChIInChI=1S/C13H30N4/c1-4-16(12-13(2)11-14)9-10-17-7-5-15(3)6-8-17/h13H,4-12,14H2,1-3H3
InChIKeyWCBUGTZFBNTXBX-UHFFFAOYSA-N
XLogP0.15
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium
CID 143677744
N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 82892276
N'-ethyl-2-methyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190975
N'-ethyl-2-methyl-N'-(2-methylbutyl)butane-1,4-diamine
CID 81080503
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 114015122
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 145302362
3-[2-(4-methylpiperazin-1-yl)ethyl-(2-methylpropyl)amino]propanenitrile
CID 82892301
N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 81080728
2-[2-[2-(2-aminoethylsulfanyl)ethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethylsulfanyl]ethanamine;ethane
CID 171080489
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine (CID 82889621) is N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine is CCN(CCN1CCN(C)CC1)CC(C)CN.
What is the InChIKey of N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine?
The InChIKey is WCBUGTZFBNTXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-4-16(12-13(2)11-14)9-10-17-7-5-15(3)6-8-17/h13H,4-12,14H2,1-3H3.
What are the key properties of N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine?
N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 82889621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).