[4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine

C17H31NO2 — CID 79904420

IUPAC[4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)(OC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C17H31NO2/c1-14-4-9-17(13-18,10-5-14)20-15-6-11-19-16(12-15)7-2-3-8-16/h14-15H,2-13,18H2,1H3
InChIKeyKUYIKIYZMMQWKS-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.40
Rot. Bonds3

About [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine

[4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine (PubChem CID 79904420) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine
PubChem CID79904420
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name[4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)(OC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C17H31NO2/c1-14-4-9-17(13-18,10-5-14)20-15-6-11-19-16(12-15)7-2-3-8-16/h14-15H,2-13,18H2,1H3
InChIKeyKUYIKIYZMMQWKS-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine with MolForge

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Related Compounds

[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176
[1-(oxolan-3-yloxy)cycloheptyl]methanamine
CID 63558677
2-(5-oxaspiro[3.5]nonan-8-yloxy)ethanamine
CID 79893869
2-ethyl-2-(1-oxaspiro[5.5]undecan-4-yloxy)butan-1-amine
CID 79905252
[1-(3-methylcyclohexyl)oxycyclopentyl]methanamine
CID 62111227
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cyclohexan-1-amine
CID 79894098
1-(1-oxaspiro[5.5]undecan-4-yloxymethyl)cycloheptan-1-amine
CID 79900577
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914646

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine (CID 79904420) is [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine is CC1CCC(CN)(OC2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine?
The InChIKey is KUYIKIYZMMQWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14-4-9-17(13-18,10-5-14)20-15-6-11-19-16(12-15)7-2-3-8-16/h14-15H,2-13,18H2,1H3.
What are the key properties of [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine?
[4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine has a molecular weight of 281.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(6-oxaspiro[4.5]decan-9-yloxy)cyclohexyl]methanamine is sourced from PubChem (CID 79904420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).