2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde

C10H19NO2 — CID 62036678

IUPAC2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde
SMILESO=CCN(CCO)C1CCCCC1
InChIInChI=1S/C10H19NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h8,10,13H,1-7,9H2
InChIKeyMRYGJKBFIBXDQT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.81
Rot. Bonds5

About 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde

2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde (PubChem CID 62036678) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde
PubChem CID62036678
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde
SMILESO=CCN(CCO)C1CCCCC1
InChIInChI=1S/C10H19NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h8,10,13H,1-7,9H2
InChIKeyMRYGJKBFIBXDQT-UHFFFAOYSA-N
XLogP0.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.81
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

Ethanol, 2,2'-(cyclohexylimino)bis-
CID 20587
2-[cyclohexyl-[(2S)-1-oxopropan-2-yl]amino]acetic acid
CID 22880790
2-[Cyclohexyl(2-oxoethyl)amino]acetaldehyde
CID 53834001
2-[Cyclopentyl(2-hydroxyethyl)amino]acetaldehyde
CID 62035127
2-[2-Hydroxyethyl(pentan-3-yl)amino]acetaldehyde
CID 62035403
Cyclohexyl-(2-hydroxyethyl)-methyl-(2-oxopropyl)azanium chloride
CID 174870102
2-[Cyclohexyl(2-hydroxyethyl)amino]acetic acid
CID 12409453
3-[Cyclohexyl(2-hydroxyethyl)amino]butan-2-one
CID 62035898
1-[Cyclohexyl(2-hydroxyethyl)amino]propan-2-one
CID 62036480
1-[Cyclohexyl(2-hydroxyethyl)amino]butan-2-one
CID 62039735
1-[Cyclohexyl(2-hydroxyethyl)amino]pentan-2-one
CID 62043123
N-cyclohexyl-N-(2-hydroxyethyl)formamide
CID 62137295

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde?
The IUPAC name of 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde (CID 62036678) is 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde?
The canonical SMILES for 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde is O=CCN(CCO)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde?
The InChIKey is MRYGJKBFIBXDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-8-6-11(7-9-13)10-4-2-1-3-5-10/h8,10,13H,1-7,9H2.
What are the key properties of 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde?
2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde has a molecular weight of 185.27 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxyethyl)amino]acetaldehyde is sourced from PubChem (CID 62036678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).