1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine

C13H27N3 — CID 123930701

IUPAC1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine
SMILESCN1CCN(C(C)(C)CC2(C)CN2C)CC1
InChIInChI=1S/C13H27N3/c1-12(2,10-13(3)11-15(13)5)16-8-6-14(4)7-9-16/h6-11H2,1-5H3
InChIKeyNBWYFZURSBFJGC-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.11
Rot. Bonds3

About 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine

1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine (PubChem CID 123930701) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine
PubChem CID123930701
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine
SMILESCN1CCN(C(C)(C)CC2(C)CN2C)CC1
InChIInChI=1S/C13H27N3/c1-12(2,10-13(3)11-15(13)5)16-8-6-14(4)7-9-16/h6-11H2,1-5H3
InChIKeyNBWYFZURSBFJGC-UHFFFAOYSA-N
XLogP1.11
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine (CID 123930701) is 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine is CN1CCN(C(C)(C)CC2(C)CN2C)CC1.
What is the InChIKey of 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine?
The InChIKey is NBWYFZURSBFJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(2,10-13(3)11-15(13)5)16-8-6-14(4)7-9-16/h6-11H2,1-5H3.
What are the key properties of 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine?
1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine has a molecular weight of 225.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-dimethylaziridin-2-yl)-2-methylpropan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 123930701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).