2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal

C16H34N2O — CID 102997025

IUPAC2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CC)CCCN(CC)CC
InChIInChI=1S/C16H34N2O/c1-6-11-16(5,15-19)14-18(9-4)13-10-12-17(7-2)8-3/h15H,6-14H2,1-5H3
InChIKeyFJTRBQZOQHVPEB-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.05
Rot. Bonds12

About 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal

2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal (PubChem CID 102997025) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal
PubChem CID102997025
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(CC)CCCN(CC)CC
InChIInChI=1S/C16H34N2O/c1-6-11-16(5,15-19)14-18(9-4)13-10-12-17(7-2)8-3/h15H,6-14H2,1-5H3
InChIKeyFJTRBQZOQHVPEB-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[3-(diethylamino)propyl-ethylamino]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-methyl-2-propylpentanal
CID 12587446
2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal
CID 62278096
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-2-methylpentanal
CID 107486395
2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-2-methylpentanal
CID 62277192
N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 102997053
2-methyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]butanal
CID 62278315
2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal
CID 62862235
5-(diethylamino)-2-methylpentan-2-ol
CID 14530143
N,N-diethyl-4,4-dimethyldecan-1-amine
CID 129028023
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N,N-diethyl-2,2-dimethylpentan-1-amine
CID 91350925

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal?
The IUPAC name of 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal (CID 102997025) is 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal.
What is the SMILES notation for 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal?
The canonical SMILES for 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal is CCCC(C)(C=O)CN(CC)CCCN(CC)CC.
What is the InChIKey of 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal?
The InChIKey is FJTRBQZOQHVPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-11-16(5,15-19)14-18(9-4)13-10-12-17(7-2)8-3/h15H,6-14H2,1-5H3.
What are the key properties of 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal?
2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal has a molecular weight of 270.46 g/mol, XLogP of 3.05, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal is sourced from PubChem (CID 102997025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).