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

C11H23N3 — CID 79658909

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)C1CN(C)CCN1C
InChIInChI=1S/C11H23N3/c1-9(2)7-10(12)11-8-13(3)5-6-14(11)4/h10-11H,1,5-8,12H2,2-4H3
InChIKeyDJQPSWNYSFDGLS-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.53
Rot. Bonds3

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

1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine (PubChem CID 79658909) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine
PubChem CID79658909
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)C1CN(C)CCN1C
InChIInChI=1S/C11H23N3/c1-9(2)7-10(12)11-8-13(3)5-6-14(11)4/h10-11H,1,5-8,12H2,2-4H3
InChIKeyDJQPSWNYSFDGLS-UHFFFAOYSA-N
XLogP0.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine (CID 79658909) is 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine is C=C(C)CC(N)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine?
The InChIKey is DJQPSWNYSFDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)7-10(12)11-8-13(3)5-6-14(11)4/h10-11H,1,5-8,12H2,2-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-amine has a molecular weight of 197.33 g/mol, XLogP of 0.53, 3 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)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 79658909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).