2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine

C14H31N3 — CID 63621134

IUPAC2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C(C)C)N1CCN(C)C(C)C1
InChIInChI=1S/C14H31N3/c1-6-7-15-10-14(12(2)3)17-9-8-16(5)13(4)11-17/h12-15H,6-11H2,1-5H3
InChIKeyMWQGNBUAQWQTAB-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds6

About 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine

2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine (PubChem CID 63621134) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
PubChem CID63621134
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C(C)C)N1CCN(C)C(C)C1
InChIInChI=1S/C14H31N3/c1-6-7-15-10-14(12(2)3)17-9-8-16(5)13(4)11-17/h12-15H,6-11H2,1-5H3
InChIKeyMWQGNBUAQWQTAB-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylbutan-1-amine
CID 79170163
3-(3,4-dimethylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 63621653
3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63167252
4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 63619609
3-methyl-2-(2-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 62438112
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methyl-N-propylbutan-1-amine
CID 62432349
3-methyl-2-(4-methylpiperazin-1-yl)-N-pentylbutan-1-amine
CID 61241600
3-methyl-2-(3-methylmorpholin-4-yl)-N-propylbutan-1-amine
CID 62421381
3-methyl-N-propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-amine
CID 62967246
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63609305
2-(3,4-dimethylpiperazin-1-yl)-N-ethylpentan-3-amine
CID 63609825

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine (CID 63621134) is 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine is CCCNCC(C(C)C)N1CCN(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is MWQGNBUAQWQTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-6-7-15-10-14(12(2)3)17-9-8-16(5)13(4)11-17/h12-15H,6-11H2,1-5H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine?
2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 63621134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).