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

C13H27N3 — CID 79658440

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)C1CN(C)CCN1C
InChIInChI=1S/C13H27N3/c1-6-14-12(9-11(2)3)13-10-15(4)7-8-16(13)5/h12-14H,2,6-10H2,1,3-5H3
InChIKeyFSPZIGUYEZYOOU-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.18
Rot. Bonds5

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

1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine (PubChem CID 79658440) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine
PubChem CID79658440
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)C1CN(C)CCN1C
InChIInChI=1S/C13H27N3/c1-6-14-12(9-11(2)3)13-10-15(4)7-8-16(13)5/h12-14H,2,6-10H2,1,3-5H3
InChIKeyFSPZIGUYEZYOOU-UHFFFAOYSA-N
XLogP1.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.18
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

1-(1,4-dimethylpiperazin-2-yl)-3-methylbut-3-en-1-ol
CID 79659648
1-(1,4-dimethylpiperazin-2-yl)-2-ethoxy-N-ethylethanamine
CID 79659517
N-ethyl-3-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
CID 79186078
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 79658692
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
CID 79658524
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
CID 79659112
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658445
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 79659440
1-(1,4-dimethylpiperazin-2-yl)-N-ethylprop-2-yn-1-amine
CID 79659606
tert-butyl 3-[1-(ethylamino)-3-methylbut-3-enyl]pyrrolidine-1-carboxylate
CID 107092540
2-(5-bromothiophen-2-yl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658778
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79658853

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine (CID 79658440) is 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine is C=C(C)CC(NCC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine?
The InChIKey is FSPZIGUYEZYOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-14-12(9-11(2)3)13-10-15(4)7-8-16(13)5/h12-14H,2,6-10H2,1,3-5H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-methylbut-3-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.18, 5 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-ethyl-3-methylbut-3-en-1-amine is sourced from PubChem (CID 79658440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).