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

C14H27NO3 — CID 62275891

IUPAC1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCOCCN(CCOC)CC1(C=O)CCCCC1
InChIInChI=1S/C14H27NO3/c1-17-10-8-15(9-11-18-2)12-14(13-16)6-4-3-5-7-14/h13H,3-12H2,1-2H3
InChIKeyWDMOATWDXXKPHS-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.73
Rot. Bonds9

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

1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 62275891) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID62275891
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCOCCN(CCOC)CC1(C=O)CCCCC1
InChIInChI=1S/C14H27NO3/c1-17-10-8-15(9-11-18-2)12-14(13-16)6-4-3-5-7-14/h13H,3-12H2,1-2H3
InChIKeyWDMOATWDXXKPHS-UHFFFAOYSA-N
XLogP1.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55051071
1-[[2-ethoxyethyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 63692113
3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde
CID 63739741
N-[[1-(bromomethyl)cycloheptyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65010281
N-[(3-ethylpiperidin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 63133024
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63741331
N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65009847
1-(2-oxoethyl)cyclohexane-1-carbaldehyde
CID 89249551
4-[[2-ethoxyethyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 63692111
1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 107204515
1-[[2-methoxyethyl(prop-2-enyl)amino]methyl]cyclopentan-1-amine
CID 103339270
1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62278291

Frequently Asked Questions

What is the IUPAC name of 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 62275891) is 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde is COCCN(CCOC)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is WDMOATWDXXKPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-17-10-8-15(9-11-18-2)12-14(13-16)6-4-3-5-7-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 257.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(2-methoxyethyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62275891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).