2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal

C12H23NO2 — CID 62277419

IUPAC2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CCO)C1CC1
InChIInChI=1S/C12H23NO2/c1-3-12(4-2,10-15)9-13(7-8-14)11-5-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyRKKVNMDTPUYLMK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds8

About 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal (PubChem CID 62277419) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal.

Molecular Properties

Compound Name2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal
PubChem CID62277419
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal
SMILESCCC(C=O)(CC)CN(CCO)C1CC1
InChIInChI=1S/C12H23NO2/c1-3-12(4-2,10-15)9-13(7-8-14)11-5-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyRKKVNMDTPUYLMK-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal
CID 62276803
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
CID 62275681
2-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
CID 62275844
2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol
CID 64997494
2-[cyclobutyl-[2-(ethylaminomethyl)-2-methylbutyl]amino]ethanol
CID 102870942
2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol
CID 62260812
1-[cyclopropyl(2-hydroxyethyl)amino]-2,3-dimethylbutan-2-ol
CID 114495495
2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol
CID 102871030
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 102677025
2-[cyclopropyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]ethanol
CID 62270068
2-[cyclopropyl-[2,2-dimethyl-3-(methylamino)butyl]amino]ethanol
CID 66455172

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal?
The IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal (CID 62277419) is 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal.
What is the SMILES notation for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal?
The canonical SMILES for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal is CCC(C=O)(CC)CN(CCO)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal?
The InChIKey is RKKVNMDTPUYLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-12(4-2,10-15)9-13(7-8-14)11-5-6-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal?
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal has a molecular weight of 213.32 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal is sourced from PubChem (CID 62277419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).