[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine

C16H29NO — CID 81011233

IUPAC[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
SMILESNCC1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO/c17-12-14-5-1-2-6-15(14)13-7-10-18-16(11-13)8-3-4-9-16/h13-15H,1-12,17H2
InChIKeyFZFZSADBSXDXRR-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.49
Rot. Bonds2

About [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine

[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine (PubChem CID 81011233) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
PubChem CID81011233
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
SMILESNCC1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO/c17-12-14-5-1-2-6-15(14)13-7-10-18-16(11-13)8-3-4-9-16/h13-15H,1-12,17H2
InChIKeyFZFZSADBSXDXRR-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methanamine
CID 81010128
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
CID 81027844
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
CID 81018268
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
4-(2-chlorocyclohexyl)-1-oxa-9-thiaspiro[5.5]undecane
CID 79919680

Frequently Asked Questions

What is the IUPAC name of [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine?
The IUPAC name of [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine (CID 81011233) is [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine?
The canonical SMILES for [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine is NCC1CCCCC1C1CCOC2(CCCC2)C1.
What is the InChIKey of [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine?
The InChIKey is FZFZSADBSXDXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c17-12-14-5-1-2-6-15(14)13-7-10-18-16(11-13)8-3-4-9-16/h13-15H,1-12,17H2.
What are the key properties of [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine?
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine has a molecular weight of 251.41 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81011233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).