1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde

C14H25NO2 — CID 62278136

IUPAC1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCN(CC1CCCO1)CC1(C=O)CCCCC1
InChIInChI=1S/C14H25NO2/c1-15(10-13-6-5-9-17-13)11-14(12-16)7-3-2-4-8-14/h12-13H,2-11H2,1H3
InChIKeyXRETWYGPZKVXNT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds5

About 1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde

1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 62278136) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID62278136
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCN(CC1CCCO1)CC1(C=O)CCCCC1
InChIInChI=1S/C14H25NO2/c1-15(10-13-6-5-9-17-13)11-14(12-16)7-3-2-4-8-14/h12-13H,2-11H2,1H3
InChIKeyXRETWYGPZKVXNT-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
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-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 62278136) is 1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde is CN(CC1CCCO1)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is XRETWYGPZKVXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-15(10-13-6-5-9-17-13)11-14(12-16)7-3-2-4-8-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 239.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62278136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).