(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C18H33NO2 — CID 116763566

IUPAC(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCCOC1(C(N)C2CCOC3(CCCC3)C2)CCCCC1
InChIInChI=1S/C18H33NO2/c1-2-20-18(11-4-3-5-12-18)16(19)15-8-13-21-17(14-15)9-6-7-10-17/h15-16H,2-14,19H2,1H3
InChIKeyAJMDRRIXOMGFBJ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.79
Rot. Bonds4

About (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 116763566) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID116763566
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCCOC1(C(N)C2CCOC3(CCCC3)C2)CCCCC1
InChIInChI=1S/C18H33NO2/c1-2-20-18(11-4-3-5-12-18)16(19)15-8-13-21-17(14-15)9-6-7-10-17/h15-16H,2-14,19H2,1H3
InChIKeyAJMDRRIXOMGFBJ-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)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-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104610599
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461
(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
CID 107136911
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
CID 116768060
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 116723029
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 116718593

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 116763566) is (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is CCOC1(C(N)C2CCOC3(CCCC3)C2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is AJMDRRIXOMGFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-20-18(11-4-3-5-12-18)16(19)15-8-13-21-17(14-15)9-6-7-10-17/h15-16H,2-14,19H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 295.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 116763566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).