1-ethyl-4-methoxyazepane-4-carbaldehyde

C10H19NO2 — CID 105441684

IUPAC1-ethyl-4-methoxyazepane-4-carbaldehyde
SMILESCCN1CCCC(C=O)(OC)CC1
InChIInChI=1S/C10H19NO2/c1-3-11-7-4-5-10(9-12,13-2)6-8-11/h9H,3-8H2,1-2H3
InChIKeySZVIROXSHMYFHD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.08
Rot. Bonds3

About 1-ethyl-4-methoxyazepane-4-carbaldehyde

1-ethyl-4-methoxyazepane-4-carbaldehyde (PubChem CID 105441684) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-ethyl-4-methoxyazepane-4-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-4-methoxyazepane-4-carbaldehyde
PubChem CID105441684
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-ethyl-4-methoxyazepane-4-carbaldehyde
SMILESCCN1CCCC(C=O)(OC)CC1
InChIInChI=1S/C10H19NO2/c1-3-11-7-4-5-10(9-12,13-2)6-8-11/h9H,3-8H2,1-2H3
InChIKeySZVIROXSHMYFHD-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-methoxyazepane-4-carbaldehyde 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

4-methoxy-1-(oxolan-2-ylmethyl)piperidine-4-carbaldehyde
CID 175382245
3-methoxy-1-methylpiperidine-3-carbaldehyde
CID 105430672
1-ethyl-5,5-difluoroazocane
CID 162614940
4-amino-1-ethylpiperidine-4-carbaldehyde
CID 178037255
4-methoxy-1,1-dioxothiepane-4-carbaldehyde
CID 105458997
8-methoxyspiro[4.5]decane-8-carbaldehyde
CID 130656020
4-(ethoxymethyl)-1-ethylazepan-4-ol
CID 79568100
1,3-diethyl-3-methoxypiperidine
CID 153193773
1-ethyl-4-[formyl(propyl)amino]azepane-4-carboxylic acid
CID 65076167
1,6-diethyl-1,6-diazecane
CID 172611513
1-ethylpyrrolidine;sulfanyloxymethane
CID 172620530
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxyazepane-4-carbaldehyde?
The IUPAC name of 1-ethyl-4-methoxyazepane-4-carbaldehyde (CID 105441684) is 1-ethyl-4-methoxyazepane-4-carbaldehyde.
What is the SMILES notation for 1-ethyl-4-methoxyazepane-4-carbaldehyde?
The canonical SMILES for 1-ethyl-4-methoxyazepane-4-carbaldehyde is CCN1CCCC(C=O)(OC)CC1.
What is the InChIKey of 1-ethyl-4-methoxyazepane-4-carbaldehyde?
The InChIKey is SZVIROXSHMYFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-11-7-4-5-10(9-12,13-2)6-8-11/h9H,3-8H2,1-2H3.
What are the key properties of 1-ethyl-4-methoxyazepane-4-carbaldehyde?
1-ethyl-4-methoxyazepane-4-carbaldehyde has a molecular weight of 185.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxyazepane-4-carbaldehyde is sourced from PubChem (CID 105441684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).