2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine

Name: 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₈N₂ — CID 139342130

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine

SMILESCC(C)(C)C1CC(CC(C)(C)C2CNC2)N1

InChIInChI=1S/C14H28N2/c1-13(2,3)12-6-11(16-12)7-14(4,5)10-8-15-9-10/h10-12,15-16H,6-9H2,1-5H3

InChIKeyJGZOVQQBJUJFOG-UHFFFAOYSA-N

MW224.39 g/mol

LogP2.40

Rot. Bonds3

About 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine

2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine (PubChem CID 139342130) has the molecular formula C₁₄H₂₈N₂ and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine.

Molecular Properties

Compound Name	2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine
PubChem CID	139342130
Molecular Formula	C₁₄H₂₈N₂
Molecular Weight	224.39 g/mol
Exact Mass	224.23
IUPAC Name	2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine
SMILES	CC(C)(C)C1CC(CC(C)(C)C2CNC2)N1
InChI	InChI=1S/C14H28N2/c1-13(2,3)12-6-11(16-12)7-14(4,5)10-8-15-9-10/h10-12,15-16H,6-9H2,1-5H3
InChIKey	JGZOVQQBJUJFOG-UHFFFAOYSA-N
XLogP	2.40
TPSA	24.06 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.39
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine?

The IUPAC name of 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine (CID 139342130) is 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine.

What is the SMILES notation for 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine?

The canonical SMILES for 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine is CC(C)(C)C1CC(CC(C)(C)C2CNC2)N1.

What is the InChIKey of 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine?

The InChIKey is JGZOVQQBJUJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)12-6-11(16-12)7-14(4,5)10-8-15-9-10/h10-12,15-16H,6-9H2,1-5H3.

What are the key properties of 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine?

2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine has a molecular weight of 224.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine is sourced from PubChem (CID 139342130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139342130 — identifiers, structure, computed properties (public domain)

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