3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine

C13H30N4 — CID 79408430

IUPAC3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
SMILESCC(CN)C(C)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H30N4/c1-12(11-14)13(2)17-9-7-16(8-10-17)6-5-15(3)4/h12-13H,5-11,14H2,1-4H3
InChIKeyMSGVQSDCKKUWJO-UHFFFAOYSA-N
MW242.41 g/mol
LogP0.15
Rot. Bonds6

About 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine

3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine (PubChem CID 79408430) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
PubChem CID79408430
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC Name3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine
SMILESCC(CN)C(C)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H30N4/c1-12(11-14)13(2)17-9-7-16(8-10-17)6-5-15(3)4/h12-13H,5-11,14H2,1-4H3
InChIKeyMSGVQSDCKKUWJO-UHFFFAOYSA-N
XLogP0.15
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-methyl-3-(4-propylpiperazin-1-yl)butan-1-amine
CID 79414609
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 62885074
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutanoic acid
CID 79413725
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4,4-dimethylpentan-1-amine
CID 62951340
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-1-amine
CID 43253206
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
1-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpentan-2-ol
CID 64820717
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
CID 62886437
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-amine
CID 62885238
3-amino-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-methylpentan-1-ol
CID 114357140
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
ethyl 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butanoate
CID 55128136

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine?
The IUPAC name of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine (CID 79408430) is 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine is CC(CN)C(C)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine?
The InChIKey is MSGVQSDCKKUWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-12(11-14)13(2)17-9-7-16(8-10-17)6-5-15(3)4/h12-13H,5-11,14H2,1-4H3.
What are the key properties of 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine?
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 79408430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).