2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane

C16H28N2O — CID 138702651

IUPAC2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane
SMILESCC1COC2(CN1)CC(CC1CNCC3(CC3)C1)C2
InChIInChI=1S/C16H28N2O/c1-12-9-19-16(11-18-12)6-13(7-16)4-14-5-15(2-3-15)10-17-8-14/h12-14,17-18H,2-11H2,1H3
InChIKeyWBSAIVAHUYPRKA-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.92
Rot. Bonds2

About 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane

2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 138702651) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane
PubChem CID138702651
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane
SMILESCC1COC2(CN1)CC(CC1CNCC3(CC3)C1)C2
InChIInChI=1S/C16H28N2O/c1-12-9-19-16(11-18-12)6-13(7-16)4-14-5-15(2-3-15)10-17-8-14/h12-14,17-18H,2-11H2,1H3
InChIKeyWBSAIVAHUYPRKA-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane with MolForge

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Related Compounds

3-[2-Fluoro-2-(5-oxaspiro[3.5]nonan-8-yl)propyl]morpholine
CID 116011282
9-[(2,2-Difluorocyclopropyl)methyl]-2,2-dimethyl-5-oxa-8-azaspiro[3.5]nonane
CID 165841193
2-[5-(5-Tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-ethylmorpholine
CID 126683394
2-[5-(5-Tert-butylpiperidin-2-yl)-2,5-dimethylhexan-2-yl]-4-propan-2-ylmorpholine
CID 130426494
5-[(8-Methyl-5-azaspiro[3.5]nonan-2-yl)methyl]-4-oxa-7-azaspiro[2.5]octane
CID 135255020
4-Methyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[3.1.1]heptane
CID 137535423
(3S)-4-methyl-3-[(2-methylpropan-2-yl)oxymethyl]-2-azabicyclo[3.1.1]heptane
CID 137535506
4-Tert-butyl-2-[2,5-dimethyl-5-(5-propan-2-ylpiperidin-2-yl)hexan-2-yl]morpholine
CID 138503036
2-(2,5-Dimethyl-5-morpholin-3-ylhexan-2-yl)morpholine
CID 156547206
2-(5-azaspiro[3.5]nonan-8-ylmethyl)-1-ethyl-N-[4-(6-methyl-8-oxa-5-azaspiro[3.5]nonan-2-yl)butyl]cyclopropan-1-amine
CID 167233887
3,10-Bis(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 167291421
5-Tert-butyl-2-[5-(3-tert-butylcyclobutyl)-2,5-dimethylhexan-2-yl]morpholine
CID 169861104

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane (CID 138702651) is 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane is CC1COC2(CN1)CC(CC1CNCC3(CC3)C1)C2.
What is the InChIKey of 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is WBSAIVAHUYPRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-9-19-16(11-18-12)6-13(7-16)4-14-5-15(2-3-15)10-17-8-14/h12-14,17-18H,2-11H2,1H3.
What are the key properties of 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane?
2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 264.41 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.5]octan-7-ylmethyl)-7-methyl-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 138702651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).