2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal

C13H25NO2 — CID 62275681

IUPAC2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN(CCO)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-3-13(2,11-16)10-14(8-9-15)12-6-4-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyDVXBEIIWRBJCEI-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds7

About 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal

2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal (PubChem CID 62275681) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal.

Molecular Properties

Compound Name2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
PubChem CID62275681
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal
SMILESCCC(C)(C=O)CN(CCO)C1CCCC1
InChIInChI=1S/C13H25NO2/c1-3-13(2,11-16)10-14(8-9-15)12-6-4-5-7-12/h11-12,15H,3-10H2,1-2H3
InChIKeyDVXBEIIWRBJCEI-UHFFFAOYSA-N
XLogP1.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.84
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-[[butyl(cyclopropyl)amino]methyl]-2-methylbutanal
CID 62275844
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-2-ethylbutanal
CID 62277419
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-2-methylpentan-1-ol
CID 62265116
2-[cyclopentyl-[3-(ethylamino)-2,2-dimethylpropyl]amino]ethanol
CID 62261165
2-[[2-(aminomethyl)-2-ethylbutyl]-cyclopentylamino]ethanol
CID 62260812
2-[cyclobutyl-[2-(ethylaminomethyl)-2-methylbutyl]amino]ethanol
CID 102870942
3-[cyclohexyl(2-hydroxyethyl)amino]propanal
CID 63039607
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclobutyl-[2-methyl-2-(methylaminomethyl)butyl]amino]ethanol
CID 102871030
2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol
CID 62258926
2-[cyclohexyl-[3-(ethylamino)-2,2-dimethylbutyl]amino]ethanol
CID 66452348
2-[cyclohexyl-[2,2-dimethyl-3-(propylamino)butyl]amino]ethanol
CID 66455597

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal?
The IUPAC name of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal (CID 62275681) is 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal.
What is the SMILES notation for 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal?
The canonical SMILES for 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal is CCC(C)(C=O)CN(CCO)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal?
The InChIKey is DVXBEIIWRBJCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-13(2,11-16)10-14(8-9-15)12-6-4-5-7-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal?
2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal has a molecular weight of 227.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-methylbutanal is sourced from PubChem (CID 62275681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).