4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine

C13H30N4 — CID 55127755

IUPAC4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H30N4/c1-13(14-2)5-6-16-9-11-17(12-10-16)8-7-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyGDNDUABAGBIFAV-UHFFFAOYSA-N
MW242.41 g/mol
LogP0.16
Rot. Bonds7

About 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine (PubChem CID 55127755) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine
PubChem CID55127755
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine
SMILESCNC(C)CCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H30N4/c1-13(14-2)5-6-16-9-11-17(12-10-16)8-7-15(3)4/h13-14H,5-12H2,1-4H3
InChIKeyGDNDUABAGBIFAV-UHFFFAOYSA-N
XLogP0.16
TPSA21.75 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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylhexan-2-amine
CID 62886982
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
CID 62888141
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol
CID 64788204
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylbutan-2-amine
CID 79932112
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62888034
2-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanamide
CID 63055069
2-N,4-N-dimethyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708266
N'-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-N-methylethane-1,2-diamine
CID 130246433

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine (CID 55127755) is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine is CNC(C)CCN1CCN(CCN(C)C)CC1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine?
The InChIKey is GDNDUABAGBIFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-13(14-2)5-6-16-9-11-17(12-10-16)8-7-15(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine?
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine is sourced from PubChem (CID 55127755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).