1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde

C12H23NO2 — CID 62336784

IUPAC1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCC(O)CN(C)CC1(C=O)CCCCC1
InChIInChI=1S/C12H23NO2/c1-11(15)8-13(2)9-12(10-14)6-4-3-5-7-12/h10-11,15H,3-9H2,1-2H3
InChIKeyCFKPAOZVLJGBRX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds5

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

1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 62336784) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID62336784
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCC(O)CN(C)CC1(C=O)CCCCC1
InChIInChI=1S/C12H23NO2/c1-11(15)8-13(2)9-12(10-14)6-4-3-5-7-12/h10-11,15H,3-9H2,1-2H3
InChIKeyCFKPAOZVLJGBRX-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-3-methylcyclohexane-1-carbaldehyde
CID 107486406
1-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 107486409
1-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-3-methylcyclohexane-1-carbaldehyde
CID 107486448
1-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 107486451
1-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexane-1-carbaldehyde
CID 113965132
1-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexane-1-carbaldehyde
CID 113965139
1-(Diethylaminomethyl)cyclohexane-1-carbaldehyde
CID 62277122
1-[[2-Methoxyethyl(2-methylpropyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55051071
1-[(2-Ethylmorpholin-4-yl)methyl]cyclohexane-1-carbaldehyde
CID 55051212
1-[[Butyl(2-hydroxyethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55051216
1-[[2-Hydroxyethyl(pentan-3-yl)amino]methyl]cyclohexane-1-carbaldehyde
CID 55052034
2-[[2-Hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
CID 55094407

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 62336784) is 1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde is CC(O)CN(C)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is CFKPAOZVLJGBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(15)8-13(2)9-12(10-14)6-4-3-5-7-12/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 213.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 62336784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).