1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol

C17H31NO2 — CID 102848135

IUPAC1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1CCC2(CCCCC2)O1)CC1(O)CCCC1
InChIInChI=1S/C17H31NO2/c1-18(14-16(19)8-5-6-9-16)13-15-7-12-17(20-15)10-3-2-4-11-17/h15,19H,2-14H2,1H3
InChIKeyYYMQOMPXFNZHSO-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.11
Rot. Bonds4

About 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol

1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol (PubChem CID 102848135) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol
PubChem CID102848135
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1CCC2(CCCCC2)O1)CC1(O)CCCC1
InChIInChI=1S/C17H31NO2/c1-18(14-16(19)8-5-6-9-16)13-15-7-12-17(20-15)10-3-2-4-11-17/h15,19H,2-14H2,1H3
InChIKeyYYMQOMPXFNZHSO-UHFFFAOYSA-N
XLogP3.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol (CID 102848135) is 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol is CN(CC1CCC2(CCCCC2)O1)CC1(O)CCCC1.
What is the InChIKey of 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is YYMQOMPXFNZHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-18(14-16(19)8-5-6-9-16)13-15-7-12-17(20-15)10-3-2-4-11-17/h15,19H,2-14H2,1H3.
What are the key properties of 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol?
1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 281.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 102848135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).