[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine

C18H36N2O — CID 115999067

IUPAC[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
SMILESCCOC1CCCN(C2(CN)CC(C)(C)CC(C)(C)C2)C1
InChIInChI=1S/C18H36N2O/c1-6-21-15-8-7-9-20(10-15)18(14-19)12-16(2,3)11-17(4,5)13-18/h15H,6-14,19H2,1-5H3
InChIKeyPBTCCJYHOGWIDI-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.42
Rot. Bonds4

About [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine

[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine (PubChem CID 115999067) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
PubChem CID115999067
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
SMILESCCOC1CCCN(C2(CN)CC(C)(C)CC(C)(C)C2)C1
InChIInChI=1S/C18H36N2O/c1-6-21-15-8-7-9-20(10-15)18(14-19)12-16(2,3)11-17(4,5)13-18/h15H,6-14,19H2,1-5H3
InChIKeyPBTCCJYHOGWIDI-UHFFFAOYSA-N
XLogP3.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62707704
[3,3,5,5-tetramethyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 112682303
[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468396
[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080128
[3,3-dimethyl-1-(3-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 80705682
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
1-[1-(aminomethyl)-3,3,5,5-tetramethylcyclohexyl]-N,N-dimethylpiperidin-4-amine
CID 115999034
[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 112682338
[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
CID 106822187
2-(3-ethoxypiperidin-1-yl)heptan-1-amine
CID 54985101
3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
CID 64696034

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine?
The IUPAC name of [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine (CID 115999067) is [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine is CCOC1CCCN(C2(CN)CC(C)(C)CC(C)(C)C2)C1.
What is the InChIKey of [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine?
The InChIKey is PBTCCJYHOGWIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-6-21-15-8-7-9-20(10-15)18(14-19)12-16(2,3)11-17(4,5)13-18/h15H,6-14,19H2,1-5H3.
What are the key properties of [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine?
[1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine has a molecular weight of 296.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine is sourced from PubChem (CID 115999067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).