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

C14H28N2 — CID 139342130

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 Name2-[2-(azetidin-3-yl)-2-methylpropyl]-4-tert-butylazetidine
PubChem CID139342130
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-[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
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpentan-2-yl)azetidine
CID 167096507
3-tert-butyl-5-methylpiperidine
CID 106778919
5-tert-butyl-1,3-diazinane
CID 153432359
2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol
CID 171842845
(4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine
CID 166715420
(3aS,5S,6aS)-2,5-ditert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 161153492
3-tert-butyl-5-ethenylpiperidine
CID 155121651
5-tert-butyl-1,3-oxazinane
CID 155120903
2-tert-butyl-4-(trifluoromethyl)pyrrolidine
CID 82606198
(5-tert-butylpyrrolidin-2-yl)methanol
CID 73079870
(2R)-4-tert-butyl-2-ethylpyrrolidine
CID 122428440
4-tert-butyl-5,7,10-triazatricyclo[6.4.0.02,6]dodecane
CID 163997811

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).