[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine

C16H33NO3 — CID 104568544

IUPAC[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
SMILESCCC1CCCC(CN)(CCOCCOCCOC)C1
InChIInChI=1S/C16H33NO3/c1-3-15-5-4-6-16(13-15,14-17)7-8-19-11-12-20-10-9-18-2/h15H,3-14,17H2,1-2H3
InChIKeyQUCHEIOZVPPTMM-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.60
Rot. Bonds11

About [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine

[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine (PubChem CID 104568544) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
PubChem CID104568544
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
SMILESCCC1CCCC(CN)(CCOCCOCCOC)C1
InChIInChI=1S/C16H33NO3/c1-3-15-5-4-6-16(13-15,14-17)7-8-19-11-12-20-10-9-18-2/h15H,3-14,17H2,1-2H3
InChIKeyQUCHEIOZVPPTMM-UHFFFAOYSA-N
XLogP2.60
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

11-(2-Methoxyethoxy)-5,8-dimethylundecan-1-amine
CID 139524799
2-[2-[2-[1,3-Dimethyl-5-(2-methylpropyl)cyclohexyl]ethoxy]ethoxy]ethanamine
CID 145667970
[4-Butyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 55106777
[4-Butyl-1-(2-ethoxyethyl)cyclohexyl]methanamine
CID 55209601
2-(2-Butoxyethyl)-4-tert-butylcyclohexan-1-amine
CID 61749147
4-Tert-butyl-2-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 61749148
[1-(2-Ethoxyethyl)cyclohexyl]methanamine
CID 62723285
[1-[2-(3-Methylbutoxy)ethyl]cyclohexyl]methanamine
CID 62724083
[1-(2-Butoxyethyl)cyclohexyl]methanamine
CID 62725087
[4-Butyl-1-(2-propan-2-yloxyethyl)cyclohexyl]methanamine
CID 62741006
[4-(2-Methylpentyl)oxan-4-yl]methanamine
CID 62905535
(4-Decyloxan-4-yl)methanamine
CID 62905538

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine?
The IUPAC name of [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine (CID 104568544) is [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine?
The canonical SMILES for [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine is CCC1CCCC(CN)(CCOCCOCCOC)C1.
What is the InChIKey of [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine?
The InChIKey is QUCHEIOZVPPTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-3-15-5-4-6-16(13-15,14-17)7-8-19-11-12-20-10-9-18-2/h15H,3-14,17H2,1-2H3.
What are the key properties of [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine?
[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine has a molecular weight of 287.44 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 104568544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).