1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde

C13H25NO2 — CID 63692113

IUPAC1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCCOCCN(CC)CC1(C=O)CCCC1
InChIInChI=1S/C13H25NO2/c1-3-14(9-10-16-4-2)11-13(12-15)7-5-6-8-13/h12H,3-11H2,1-2H3
InChIKeyVHKOPDMVCLAIDG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds8

About 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde

1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 63692113) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID63692113
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCCOCCN(CC)CC1(C=O)CCCC1
InChIInChI=1S/C13H25NO2/c1-3-14(9-10-16-4-2)11-13(12-15)7-5-6-8-13/h12H,3-11H2,1-2H3
InChIKeyVHKOPDMVCLAIDG-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-ethoxyethyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 63692111
1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62275891
1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55051071
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 63692839
N-[[1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63692305
[1-[[bis(2-ethoxyethyl)amino]methyl]cycloheptyl]methanol
CID 82941164
1-[2-[bis(2-ethoxyethyl)amino]ethyl]cyclobutan-1-amine
CID 82953617
2-ethoxy-N-(2-ethoxyethyl)-N-[(3-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 82953975
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82954753
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275816
1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62278291
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-ethoxy-N-methylethanamine
CID 81062701

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 63692113) is 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde is CCOCCN(CC)CC1(C=O)CCCC1.
What is the InChIKey of 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is VHKOPDMVCLAIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-14(9-10-16-4-2)11-13(12-15)7-5-6-8-13/h12H,3-11H2,1-2H3.
What are the key properties of 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 227.35 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 63692113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).