3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde

C15H29NO3 — CID 63741331

IUPAC3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
SMILESCCC(CC)N(CCOC)CC1(C=O)CCCOC1
InChIInChI=1S/C15H29NO3/c1-4-14(5-2)16(8-10-18-3)11-15(12-17)7-6-9-19-13-15/h12,14H,4-11,13H2,1-3H3
InChIKeyXHXCMPRIGIVEFW-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.12
Rot. Bonds9

About 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde

3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde (PubChem CID 63741331) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
PubChem CID63741331
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
SMILESCCC(CC)N(CCOC)CC1(C=O)CCCOC1
InChIInChI=1S/C15H29NO3/c1-4-14(5-2)16(8-10-18-3)11-15(12-17)7-6-9-19-13-15/h12,14H,4-11,13H2,1-3H3
InChIKeyXHXCMPRIGIVEFW-UHFFFAOYSA-N
XLogP2.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.12
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

3-[[2-methoxyethyl(2-methylpropyl)amino]methyl]oxane-3-carbaldehyde
CID 63739741
3-[[methyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63739908
3-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]oxolane-3-carbaldehyde
CID 62277191
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 63739653
3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]oxane-3-carbaldehyde
CID 63742041
3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]oxane-3-carbaldehyde
CID 63742040
3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63741857
1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclobutan-1-amine
CID 81171241
4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxan-4-amine
CID 115295435
3-[[propan-2-yl(propyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276953
3-[[cyclopropyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63742033
3-propyloxane-3-carbaldehyde
CID 19814202

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde?
The IUPAC name of 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde (CID 63741331) is 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde.
What is the SMILES notation for 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde?
The canonical SMILES for 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde is CCC(CC)N(CCOC)CC1(C=O)CCCOC1.
What is the InChIKey of 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde?
The InChIKey is XHXCMPRIGIVEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-14(5-2)16(8-10-18-3)11-15(12-17)7-6-9-19-13-15/h12,14H,4-11,13H2,1-3H3.
What are the key properties of 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde?
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde has a molecular weight of 271.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde is sourced from PubChem (CID 63741331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).