3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine

C14H28N2 — CID 155158020

IUPAC3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine
SMILESCC(C)(C)N1CC(CC(C)(C)N2CCC2)C1
InChIInChI=1S/C14H28N2/c1-13(2,3)16-10-12(11-16)9-14(4,5)15-7-6-8-15/h12H,6-11H2,1-5H3
InChIKeyHFAVHVRBUMIFGV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds3

About 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine

3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine (PubChem CID 155158020) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine
PubChem CID155158020
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine
SMILESCC(C)(C)N1CC(CC(C)(C)N2CCC2)C1
InChIInChI=1S/C14H28N2/c1-13(2,3)16-10-12(11-16)9-14(4,5)15-7-6-8-15/h12H,6-11H2,1-5H3
InChIKeyHFAVHVRBUMIFGV-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine?
The IUPAC name of 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine (CID 155158020) is 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine.
What is the SMILES notation for 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine?
The canonical SMILES for 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine is CC(C)(C)N1CC(CC(C)(C)N2CCC2)C1.
What is the InChIKey of 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine?
The InChIKey is HFAVHVRBUMIFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)16-10-12(11-16)9-14(4,5)15-7-6-8-15/h12H,6-11H2,1-5H3.
What are the key properties of 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine?
3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine has a molecular weight of 224.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)-2-methylpropyl]-1-tert-butylazetidine is sourced from PubChem (CID 155158020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).