2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal

C14H29NO2 — CID 62277192

IUPAC2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CCO)C(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-8-14(4,12-17)11-15(9-10-16)13(6-2)7-3/h12-13,16H,5-11H2,1-4H3
InChIKeyLFDVQVXLYWVZPM-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.47
Rot. Bonds10

About 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal

2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal (PubChem CID 62277192) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal
PubChem CID62277192
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CCO)C(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-8-14(4,12-17)11-15(9-10-16)13(6-2)7-3/h12-13,16H,5-11H2,1-4H3
InChIKeyLFDVQVXLYWVZPM-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal
CID 107486395
2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal
CID 62278096
2-methyl-2-propylpentanal
CID 12587446
2-methyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]butanal
CID 79491619
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-2-methylpentanal
CID 62276222
2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
CID 55191905
2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal
CID 102997025
hydrazinyl 3-[2-hydroxyethyl(pentan-3-yl)amino]propanoate
CID 66338223
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol
CID 106708019
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 62016068
2-[[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]-pentan-3-ylamino]ethanol
CID 62260681

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal?
The IUPAC name of 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal (CID 62277192) is 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal.
What is the SMILES notation for 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal?
The canonical SMILES for 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal is CCCC(C)(C=O)CN(CCO)C(CC)CC.
What is the InChIKey of 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal?
The InChIKey is LFDVQVXLYWVZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-8-14(4,12-17)11-15(9-10-16)13(6-2)7-3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal?
2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal has a molecular weight of 243.39 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal is sourced from PubChem (CID 62277192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).