[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine

C18H33NO — CID 102901857

IUPAC[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C18H33NO/c1-15-6-5-8-17(12-15,14-19)13-16-7-11-18(20-16)9-3-2-4-10-18/h15-16H,2-14,19H2,1H3
InChIKeyFGYCAUUCHXBQCV-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.41
Rot. Bonds3

About [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine

[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine (PubChem CID 102901857) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
PubChem CID102901857
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine
SMILESCC1CCCC(CN)(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C18H33NO/c1-15-6-5-8-17(12-15,14-19)13-16-7-11-18(20-16)9-3-2-4-10-18/h15-16H,2-14,19H2,1H3
InChIKeyFGYCAUUCHXBQCV-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[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-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
CID 102901874
2-[[1-(bromomethyl)cyclohexyl]methyl]-1-oxaspiro[4.5]decane
CID 102902155
2-[[1-(bromomethyl)cyclopentyl]methyl]-1-oxaspiro[4.5]decane
CID 102902158
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
[1-[(5-methyloxolan-2-yl)methyl]cyclohexyl]methanamine
CID 103138394
3-(1-oxaspiro[4.5]decan-2-ylmethyl)bicyclo[3.1.0]hexane-3-carboxylic acid
CID 102899338
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
[1-[(5-methyloxolan-2-yl)methyl]cyclopentyl]methanamine
CID 103138397

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine (CID 102901857) is [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine is CC1CCCC(CN)(CC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine?
The InChIKey is FGYCAUUCHXBQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-15-6-5-8-17(12-15,14-19)13-16-7-11-18(20-16)9-3-2-4-10-18/h15-16H,2-14,19H2,1H3.
What are the key properties of [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine?
[3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 102901857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).