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

C15H27NO2 — CID 62277945

IUPAC1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCCN(CC1CCCO1)CC1(C=O)CCCCC1
InChIInChI=1S/C15H27NO2/c1-2-16(11-14-7-6-10-18-14)12-15(13-17)8-4-3-5-9-15/h13-14H,2-12H2,1H3
InChIKeyKIQHWAAMZGDWRH-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.64
Rot. Bonds6

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

1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 62277945) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID62277945
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCCN(CC1CCCO1)CC1(C=O)CCCCC1
InChIInChI=1S/C15H27NO2/c1-2-16(11-14-7-6-10-18-14)12-15(13-17)8-4-3-5-9-15/h13-14H,2-12H2,1H3
InChIKeyKIQHWAAMZGDWRH-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.64
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-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 62277945) is 1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde is CCN(CC1CCCO1)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is KIQHWAAMZGDWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-16(11-14-7-6-10-18-14)12-15(13-17)8-4-3-5-9-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 253.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62277945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).