8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane

C20H37NO — CID 169289993

IUPAC8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane
SMILESCC(C)OCC1(CC2CCC3(CCN(C(C)C)CC3)C2)CC1
InChIInChI=1S/C20H37NO/c1-16(2)21-11-9-19(10-12-21)6-5-18(13-19)14-20(7-8-20)15-22-17(3)4/h16-18H,5-15H2,1-4H3
InChIKeyCTKVDYDSDVKZMD-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.87
Rot. Bonds6

About 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane

8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane (PubChem CID 169289993) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane
PubChem CID169289993
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane
SMILESCC(C)OCC1(CC2CCC3(CCN(C(C)C)CC3)C2)CC1
InChIInChI=1S/C20H37NO/c1-16(2)21-11-9-19(10-12-21)6-5-18(13-19)14-20(7-8-20)15-22-17(3)4/h16-18H,5-15H2,1-4H3
InChIKeyCTKVDYDSDVKZMD-UHFFFAOYSA-N
XLogP4.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane (CID 169289993) is 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane is CC(C)OCC1(CC2CCC3(CCN(C(C)C)CC3)C2)CC1.
What is the InChIKey of 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane?
The InChIKey is CTKVDYDSDVKZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-16(2)21-11-9-19(10-12-21)6-5-18(13-19)14-20(7-8-20)15-22-17(3)4/h16-18H,5-15H2,1-4H3.
What are the key properties of 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane?
8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane has a molecular weight of 307.52 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 169289993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).