[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine

C17H34N2O — CID 62707704

IUPAC[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCCOC1CCCN(C2(CN)CCC(C(C)C)CC2)C1
InChIInChI=1S/C17H34N2O/c1-4-20-16-6-5-11-19(12-16)17(13-18)9-7-15(8-10-17)14(2)3/h14-16H,4-13,18H2,1-3H3
InChIKeyDYJNFKUCVAKKKE-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.03
Rot. Bonds5

About [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine

[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 62707704) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID62707704
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCCOC1CCCN(C2(CN)CCC(C(C)C)CC2)C1
InChIInChI=1S/C17H34N2O/c1-4-20-16-6-5-11-19(12-16)17(13-18)9-7-15(8-10-17)14(2)3/h14-16H,4-13,18H2,1-3H3
InChIKeyDYJNFKUCVAKKKE-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]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-(3-ethoxypiperidin-1-yl)-3,3,5,5-tetramethylcyclohexyl]methanamine
CID 115999067
[1-(3-ethoxypiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562756
[3-(3-ethoxypiperidin-1-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81468396
[1-(4-methylazepan-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 55248044
[1-(2-methyl-1,4-oxazepan-4-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 62988984
[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147
[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080128
[3-ethoxy-1-(2-propan-2-ylpyrrolidin-1-yl)cyclobutyl]methanamine
CID 106822187
[1-(4-methyl-1,4-diazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65091393
[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
CID 65091150
[1-methyl-4-(4-propan-2-ylpiperidin-1-yl)azepan-4-yl]methanamine
CID 103494627

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine (CID 62707704) is [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine is CCOC1CCCN(C2(CN)CCC(C(C)C)CC2)C1.
What is the InChIKey of [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is DYJNFKUCVAKKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-4-20-16-6-5-11-19(12-16)17(13-18)9-7-15(8-10-17)14(2)3/h14-16H,4-13,18H2,1-3H3.
What are the key properties of [1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine?
[1-(3-ethoxypiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 282.47 g/mol, XLogP of 3.03, 5 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)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 62707704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).