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

C13H30N4 — CID 82892276

IUPACN'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCCCN(CCN)CCN1CCN(C)CC1
InChIInChI=1S/C13H30N4/c1-3-4-6-16(7-5-14)12-13-17-10-8-15(2)9-11-17/h3-14H2,1-2H3
InChIKeyVMSHLIKZFMVKNU-UHFFFAOYSA-N
MW242.41 g/mol
LogP0.29
Rot. Bonds8

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

N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine (PubChem CID 82892276) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
PubChem CID82892276
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC NameN'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
SMILESCCCCN(CCN)CCN1CCN(C)CC1
InChIInChI=1S/C13H30N4/c1-3-4-6-16(7-5-14)12-13-17-10-8-15(2)9-11-17/h3-14H2,1-2H3
InChIKeyVMSHLIKZFMVKNU-UHFFFAOYSA-N
XLogP0.29
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-decyl-N'-[2-[2-(4-methylpiperazin-1-yl)ethylamino]ethyl]ethane-1,2-diamine
CID 59630651
N-butyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]butan-1-amine
CID 174846213
1-[2-(dibutylamino)ethyl]piperidin-4-amine
CID 54459156
2-[2-[2-(2-aminoethylsulfanyl)ethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethylsulfanyl]ethanamine;ethane
CID 171080489
N-[2-[4-[2-[2-(azacycloundec-1-yl)ethyl-hexylamino]ethyl]piperazin-1-yl]ethyl]-N-undecyldodecan-1-amine
CID 170754923
2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
CID 82853700
N'-(2-aminoethyl)-N'-(2-piperidin-1-ylethyl)ethane-1,2-diamine
CID 67575896
ethane;1-methyl-4-pentylpiperazine
CID 145099418
N'-(2-morpholin-4-ylethyl)-N'-propylpropane-1,3-diamine
CID 43137359
N'-(2-aminoethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62923470
3-[3-(2-hexyldecanoyloxy)propyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]propyl 2-hexyldecanoate
CID 164814116
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine (CID 82892276) is N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine is CCCCN(CCN)CCN1CCN(C)CC1.
What is the InChIKey of N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
The InChIKey is VMSHLIKZFMVKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-3-4-6-16(7-5-14)12-13-17-10-8-15(2)9-11-17/h3-14H2,1-2H3.
What are the key properties of N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine?
N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 82892276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).