1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine

C11H21N3 — CID 79659606

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine
SMILESC#CC(NCC)C1CN(C)CCN1C
InChIInChI=1S/C11H21N3/c1-5-10(12-6-2)11-9-13(3)7-8-14(11)4/h1,10-12H,6-9H2,2-4H3
InChIKeyINQQCMSICATNRJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP-0.16
Rot. Bonds3

About 1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine

1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine (PubChem CID 79659606) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine
PubChem CID79659606
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine
SMILESC#CC(NCC)C1CN(C)CCN1C
InChIInChI=1S/C11H21N3/c1-5-10(12-6-2)11-9-13(3)7-8-14(11)4/h1,10-12H,6-9H2,2-4H3
InChIKeyINQQCMSICATNRJ-UHFFFAOYSA-N
XLogP-0.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine (CID 79659606) is 1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine is C#CC(NCC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine?
The InChIKey is INQQCMSICATNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-10(12-6-2)11-9-13(3)7-8-14(11)4/h1,10-12H,6-9H2,2-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine has a molecular weight of 195.31 g/mol, XLogP of -0.16, 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)-N-ethylprop-2-yn-1-amine is sourced from PubChem (CID 79659606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).