4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde

C12H21NO2 — CID 62390920

IUPAC4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde
SMILESCN(CC1CC1)CC1(C=O)CCOCC1
InChIInChI=1S/C12H21NO2/c1-13(8-11-2-3-11)9-12(10-14)4-6-15-7-5-12/h10-11H,2-9H2,1H3
InChIKeyLYEDTTAFWFIAJF-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.32
Rot. Bonds5

About 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde

4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde (PubChem CID 62390920) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde
PubChem CID62390920
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde
SMILESCN(CC1CC1)CC1(C=O)CCOCC1
InChIInChI=1S/C12H21NO2/c1-13(8-11-2-3-11)9-12(10-14)4-6-15-7-5-12/h10-11H,2-9H2,1H3
InChIKeyLYEDTTAFWFIAJF-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde
CID 55175195
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62391267
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62390393
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
4-[[cyclopropyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391098
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde
CID 102636939
4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391970
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391146
1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246585
3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276558
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62862435

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde (CID 62390920) is 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde is CN(CC1CC1)CC1(C=O)CCOCC1.
What is the InChIKey of 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde?
The InChIKey is LYEDTTAFWFIAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(8-11-2-3-11)9-12(10-14)4-6-15-7-5-12/h10-11H,2-9H2,1H3.
What are the key properties of 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde?
4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde has a molecular weight of 211.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 62390920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).