3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane

C12H23NO2 — CID 140910769

IUPAC3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC1COC2(CCN(C(C)C)CC2)OC1
InChIInChI=1S/C12H23NO2/c1-10(2)13-6-4-12(5-7-13)14-8-11(3)9-15-12/h10-11H,4-9H2,1-3H3
InChIKeyLIRSGQAPEBFYDS-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds1

About 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane

3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 140910769) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID140910769
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC1COC2(CCN(C(C)C)CC2)OC1
InChIInChI=1S/C12H23NO2/c1-10(2)13-6-4-12(5-7-13)14-8-11(3)9-15-12/h10-11H,4-9H2,1-3H3
InChIKeyLIRSGQAPEBFYDS-UHFFFAOYSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine
CID 176563534
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid
CID 20991583
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
9-methyl-2-propan-2-yl-7-oxa-2-azaspiro[4.5]decane
CID 166858231
methanol;methylcyclopropane;4-methyl-1-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 177204312
4-methyl-4-[(3S)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidine
CID 158071698
8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-4-ol
CID 165460008
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 140910769) is 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane is CC1COC2(CCN(C(C)C)CC2)OC1.
What is the InChIKey of 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is LIRSGQAPEBFYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)13-6-4-12(5-7-13)14-8-11(3)9-15-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane?
3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 213.32 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-propan-2-yl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 140910769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).