2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane

C16H29N3 — CID 166934367

IUPAC2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane
SMILESCC1CN(C2CN(C3CCC4(CC3)CN(C)C4)C2)C1
InChIInChI=1S/C16H29N3/c1-13-7-18(8-13)15-9-19(10-15)14-3-5-16(6-4-14)11-17(2)12-16/h13-15H,3-12H2,1-2H3
InChIKeyNKTMYGCRLDUVBV-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane

2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane (PubChem CID 166934367) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane
PubChem CID166934367
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane
SMILESCC1CN(C2CN(C3CCC4(CC3)CN(C)C4)C2)C1
InChIInChI=1S/C16H29N3/c1-13-7-18(8-13)15-9-19(10-15)14-3-5-16(6-4-14)11-17(2)12-16/h13-15H,3-12H2,1-2H3
InChIKeyNKTMYGCRLDUVBV-UHFFFAOYSA-N
XLogP1.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane (CID 166934367) is 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane is CC1CN(C2CN(C3CCC4(CC3)CN(C)C4)C2)C1.
What is the InChIKey of 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane?
The InChIKey is NKTMYGCRLDUVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13-7-18(8-13)15-9-19(10-15)14-3-5-16(6-4-14)11-17(2)12-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane?
2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane has a molecular weight of 263.43 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[3-(3-methylazetidin-1-yl)azetidin-1-yl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166934367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).