5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane

C16H28N2O — CID 135255020

IUPAC5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane
SMILESCC1CCNC2(C1)CC(CC1CNCC3(CC3)O1)C2
InChIInChI=1S/C16H28N2O/c1-12-2-5-18-15(7-12)8-13(9-15)6-14-10-17-11-16(19-14)3-4-16/h12-14,17-18H,2-11H2,1H3
InChIKeyKEPBFTDHKCWZTI-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.07
Rot. Bonds2

About 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane

5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane (PubChem CID 135255020) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane
PubChem CID135255020
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane
SMILESCC1CCNC2(C1)CC(CC1CNCC3(CC3)O1)C2
InChIInChI=1S/C16H28N2O/c1-12-2-5-18-15(7-12)8-13(9-15)6-14-10-17-11-16(19-14)3-4-16/h12-14,17-18H,2-11H2,1H3
InChIKeyKEPBFTDHKCWZTI-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane (CID 135255020) is 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane is CC1CCNC2(C1)CC(CC1CNCC3(CC3)O1)C2.
What is the InChIKey of 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is KEPBFTDHKCWZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-2-5-18-15(7-12)8-13(9-15)6-14-10-17-11-16(19-14)3-4-16/h12-14,17-18H,2-11H2,1H3.
What are the key properties of 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane?
5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 264.41 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 135255020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).