1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde

C15H29NO2 — CID 55051071

IUPAC1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCOCCN(CC(C)C)CC1(C=O)CCCCC1
InChIInChI=1S/C15H29NO2/c1-14(2)11-16(9-10-18-3)12-15(13-17)7-5-4-6-8-15/h13-14H,4-12H2,1-3H3
InChIKeyUDUSBGRKQGQOQD-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds8

About 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde

1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 55051071) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID55051071
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCOCCN(CC(C)C)CC1(C=O)CCCCC1
InChIInChI=1S/C15H29NO2/c1-14(2)11-16(9-10-18-3)12-15(13-17)7-5-4-6-8-15/h13-14H,4-12H2,1-3H3
InChIKeyUDUSBGRKQGQOQD-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 55051071) is 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde is COCCN(CC(C)C)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is UDUSBGRKQGQOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2)11-16(9-10-18-3)12-15(13-17)7-5-4-6-8-15/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 255.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 55051071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).