[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine

C18H33NO — CID 102901881

IUPAC[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
SMILESNCC1(CC2CCC3(CCCC3)O2)CCCCCCC1
InChIInChI=1S/C18H33NO/c19-15-17(9-4-2-1-3-5-10-17)14-16-8-13-18(20-16)11-6-7-12-18/h16H,1-15,19H2
InChIKeyLCIMYRNIASQPKB-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.56
Rot. Bonds3

About [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine

[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine (PubChem CID 102901881) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
PubChem CID102901881
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
SMILESNCC1(CC2CCC3(CCCC3)O2)CCCCCCC1
InChIInChI=1S/C18H33NO/c19-15-17(9-4-2-1-3-5-10-17)14-16-8-13-18(20-16)11-6-7-12-18/h16H,1-15,19H2
InChIKeyLCIMYRNIASQPKB-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
[4,4-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901865
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
CID 102901857
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
CID 102901874
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
[3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidin-3-yl]methanol
CID 102902013
2-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-oxaspiro[4.5]decane
CID 102902198
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methanamine
CID 103138394

Frequently Asked Questions

What is the IUPAC name of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine?
The IUPAC name of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine (CID 102901881) is [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine.
What is the SMILES notation for [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine?
The canonical SMILES for [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine is NCC1(CC2CCC3(CCCC3)O2)CCCCCCC1.
What is the InChIKey of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine?
The InChIKey is LCIMYRNIASQPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c19-15-17(9-4-2-1-3-5-10-17)14-16-8-13-18(20-16)11-6-7-12-18/h16H,1-15,19H2.
What are the key properties of [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine?
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine is sourced from PubChem (CID 102901881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).