3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine

C17H29NO — CID 102902632

IUPAC3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
SMILESC1CCC(C2(CC3CCC4(CCCC4)O3)CNC2)C1
InChIInChI=1S/C17H29NO/c1-2-6-14(5-1)16(12-18-13-16)11-15-7-10-17(19-15)8-3-4-9-17/h14-15,18H,1-13H2
InChIKeyCOBSFEHRUNXDPI-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.65
Rot. Bonds3

About 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine

3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine (PubChem CID 102902632) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
PubChem CID102902632
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
SMILESC1CCC(C2(CC3CCC4(CCCC4)O3)CNC2)C1
InChIInChI=1S/C17H29NO/c1-2-6-14(5-1)16(12-18-13-16)11-15-7-10-17(19-15)8-3-4-9-17/h14-15,18H,1-13H2
InChIKeyCOBSFEHRUNXDPI-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
CID 103142961
[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
CID 102902013
3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899318
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
CID 102899317
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
CID 102902619
3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
CID 102902614
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
4,4-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexan-1-amine
CID 102901930

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
The IUPAC name of 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine (CID 102902632) is 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
The canonical SMILES for 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine is C1CCC(C2(CC3CCC4(CCCC4)O3)CNC2)C1.
What is the InChIKey of 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
The InChIKey is COBSFEHRUNXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-2-6-14(5-1)16(12-18-13-16)11-15-7-10-17(19-15)8-3-4-9-17/h14-15,18H,1-13H2.
What are the key properties of 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine has a molecular weight of 263.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine is sourced from PubChem (CID 102902632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).