4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde

C14H25NO3 — CID 102636939

IUPAC4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde
SMILESCN(CC1(C=O)CCOCC1)C1CCCCC1O
InChIInChI=1S/C14H25NO3/c1-15(12-4-2-3-5-13(12)17)10-14(11-16)6-8-18-9-7-14/h11-13,17H,2-10H2,1H3
InChIKeyAIDBHXJPEKSQPG-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.22
Rot. Bonds4

About 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde

4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde (PubChem CID 102636939) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde
PubChem CID102636939
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde
SMILESCN(CC1(C=O)CCOCC1)C1CCCCC1O
InChIInChI=1S/C14H25NO3/c1-15(12-4-2-3-5-13(12)17)10-14(11-16)6-8-18-9-7-14/h11-13,17H,2-10H2,1H3
InChIKeyAIDBHXJPEKSQPG-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
CID 102637107
4-[[cyclopentyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391970
4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde
CID 62390920
1-[[(2-hydroxycyclohexyl)-methylamino]methyl]cyclohexan-1-ol
CID 102635783
4-[[cyclopropyl(ethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391098
1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde
CID 82743523
2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
CID 102637085
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62391267
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxane-4-carbaldehyde
CID 55175195
2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide
CID 102636606
4-[(2-fluoro-N-methylanilino)methyl]oxane-4-carbaldehyde
CID 62391272

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde (CID 102636939) is 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde is CN(CC1(C=O)CCOCC1)C1CCCCC1O.
What is the InChIKey of 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde?
The InChIKey is AIDBHXJPEKSQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-15(12-4-2-3-5-13(12)17)10-14(11-16)6-8-18-9-7-14/h11-13,17H,2-10H2,1H3.
What are the key properties of 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde?
4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde has a molecular weight of 255.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 102636939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).