1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine

C11H23N3 — CID 79659183

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)C1CN(C)CCN1C
InChIInChI=1S/C11H23N3/c1-5-6-10(12-2)11-9-13(3)7-8-14(11)4/h5,10-12H,1,6-9H2,2-4H3
InChIKeyFQBMOFTWICKDEO-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.40
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine

1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine (PubChem CID 79659183) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine
PubChem CID79659183
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine
SMILESC=CCC(NC)C1CN(C)CCN1C
InChIInChI=1S/C11H23N3/c1-5-6-10(12-2)11-9-13(3)7-8-14(11)4/h5,10-12H,1,6-9H2,2-4H3
InChIKeyFQBMOFTWICKDEO-UHFFFAOYSA-N
XLogP0.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658507
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011331
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
CID 79659112
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 79658844
2-(2,5-dimethylphenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658770
1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
CID 79659517
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
CID 115415336
2-(5-chloro-2-fluorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 103048909
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79658440
1-(1,4-dimethylpiperazin-2-yl)-N,2-dimethylpentan-1-amine
CID 107896718
1-(1,4-dimethylpiperazin-2-yl)-N,2,4-trimethylpentan-1-amine
CID 114284884

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine (CID 79659183) is 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine is C=CCC(NC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine?
The InChIKey is FQBMOFTWICKDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-5-6-10(12-2)11-9-13(3)7-8-14(11)4/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine has a molecular weight of 197.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 79659183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).