[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine

C13H27NO2 — CID 62107731

IUPAC[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
SMILESCCOCCOC1(CN)CCC(CC)CC1
InChIInChI=1S/C13H27NO2/c1-3-12-5-7-13(11-14,8-6-12)16-10-9-15-4-2/h12H,3-11,14H2,1-2H3
InChIKeyMWRHNVKUIRLULX-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.34
Rot. Bonds7

About [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine

[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine (PubChem CID 62107731) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
PubChem CID62107731
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
SMILESCCOCCOC1(CN)CCC(CC)CC1
InChIInChI=1S/C13H27NO2/c1-3-12-5-7-13(11-14,8-6-12)16-10-9-15-4-2/h12H,3-11,14H2,1-2H3
InChIKeyMWRHNVKUIRLULX-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]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-ethylcycloheptyl)methanamine
CID 66073194
[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394943
[1-(3-ethoxypropyl)-4-ethylcyclohexyl]methanamine
CID 65393494
[1-(3-ethoxypropoxy)cycloheptyl]methanamine
CID 65176333
4-ethyl-1-(iodomethyl)-1-(2-propoxyethoxy)cyclohexane
CID 114774147
[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine
CID 65052704
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
CID 62110904
[1-(aminomethyl)-4-ethylcyclohexyl] acetate
CID 151244439
1-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol
CID 65052309
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
CID 113436771

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine?
The IUPAC name of [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine (CID 62107731) is [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine is CCOCCOC1(CN)CCC(CC)CC1.
What is the InChIKey of [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine?
The InChIKey is MWRHNVKUIRLULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-12-5-7-13(11-14,8-6-12)16-10-9-15-4-2/h12H,3-11,14H2,1-2H3.
What are the key properties of [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine?
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine has a molecular weight of 229.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 62107731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).