1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine

C15H30N2 — CID 129035384

IUPAC1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine
SMILESCC(C)(C)CN1CC1CC(C)(C)CN1CCC1
InChIInChI=1S/C15H30N2/c1-14(2,3)11-17-10-13(17)9-15(4,5)12-16-7-6-8-16/h13H,6-12H2,1-5H3
InChIKeyNZAICXYDQZCTRQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.84
Rot. Bonds5

About 1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine

1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine (PubChem CID 129035384) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine.

Molecular Properties

Compound Name1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine
PubChem CID129035384
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine
SMILESCC(C)(C)CN1CC1CC(C)(C)CN1CCC1
InChIInChI=1S/C15H30N2/c1-14(2,3)11-17-10-13(17)9-15(4,5)12-16-7-6-8-16/h13H,6-12H2,1-5H3
InChIKeyNZAICXYDQZCTRQ-UHFFFAOYSA-N
XLogP2.84
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine?
The IUPAC name of 1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine (CID 129035384) is 1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine.
What is the SMILES notation for 1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine?
The canonical SMILES for 1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine is CC(C)(C)CN1CC1CC(C)(C)CN1CCC1.
What is the InChIKey of 1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine?
The InChIKey is NZAICXYDQZCTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2,3)11-17-10-13(17)9-15(4,5)12-16-7-6-8-16/h13H,6-12H2,1-5H3.
What are the key properties of 1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine?
1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine has a molecular weight of 238.42 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2,2-dimethylpropyl)aziridin-2-yl]-2,2-dimethylpropyl]azetidine is sourced from PubChem (CID 129035384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).