6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane

C16H29NO — CID 103565278

IUPAC6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)C1CC2(CNCC(CC3CCCC3)O2)C1
InChIInChI=1S/C16H29NO/c1-12(2)14-8-16(9-14)11-17-10-15(18-16)7-13-5-3-4-6-13/h12-15,17H,3-11H2,1-2H3
InChIKeyNZMJINCKVDLWMR-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds3

About 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane

6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 103565278) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane
PubChem CID103565278
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)C1CC2(CNCC(CC3CCCC3)O2)C1
InChIInChI=1S/C16H29NO/c1-12(2)14-8-16(9-14)11-17-10-15(18-16)7-13-5-3-4-6-13/h12-15,17H,3-11H2,1-2H3
InChIKeyNZMJINCKVDLWMR-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane (CID 103565278) is 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane is CC(C)C1CC2(CNCC(CC3CCCC3)O2)C1.
What is the InChIKey of 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is NZMJINCKVDLWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12(2)14-8-16(9-14)11-17-10-15(18-16)7-13-5-3-4-6-13/h12-15,17H,3-11H2,1-2H3.
What are the key properties of 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane?
6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 251.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethyl)-2-propan-2-yl-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 103565278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).