(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

C18H33NO2 — CID 116766870

IUPAC(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCCOC1(C(N)C2CCOC3(CCC3)C2)CCC(C)CC1
InChIInChI=1S/C18H33NO2/c1-3-20-18(10-5-14(2)6-11-18)16(19)15-7-12-21-17(13-15)8-4-9-17/h14-16H,3-13,19H2,1-2H3
InChIKeyDQODHFZWGNYRQL-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.65
Rot. Bonds4

About (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine

(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (PubChem CID 116766870) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
PubChem CID116766870
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
SMILESCCOC1(C(N)C2CCOC3(CCC3)C2)CCC(C)CC1
InChIInChI=1S/C18H33NO2/c1-3-20-18(10-5-14(2)6-11-18)16(19)15-7-12-21-17(13-15)8-4-9-17/h14-16H,3-13,19H2,1-2H3
InChIKeyDQODHFZWGNYRQL-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine with MolForge

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Related Compounds

(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
(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-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
CID 116768060
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine
CID 116767018
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
2-cyclopropyl-2-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 116723029
(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
CID 107136911

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine (CID 116766870) is (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is CCOC1(C(N)C2CCOC3(CCC3)C2)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
The InChIKey is DQODHFZWGNYRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-20-18(10-5-14(2)6-11-18)16(19)15-7-12-21-17(13-15)8-4-9-17/h14-16H,3-13,19H2,1-2H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine?
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine has a molecular weight of 295.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine is sourced from PubChem (CID 116766870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).