3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine

C13H29NO3 — CID 63698274

IUPAC3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
SMILESCCOCCN(CC)CCC(OCC)OCC
InChIInChI=1S/C13H29NO3/c1-5-14(11-12-15-6-2)10-9-13(16-7-3)17-8-4/h13H,5-12H2,1-4H3
InChIKeyNICNMBSYGNRGOJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.13
Rot. Bonds12

About 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine

3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine (PubChem CID 63698274) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
PubChem CID63698274
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
SMILESCCOCCN(CC)CCC(OCC)OCC
InChIInChI=1S/C13H29NO3/c1-5-14(11-12-15-6-2)10-9-13(16-7-3)17-8-4/h13H,5-12H2,1-4H3
InChIKeyNICNMBSYGNRGOJ-UHFFFAOYSA-N
XLogP2.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine 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-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid
CID 63692704
N-(3,3-diethoxypropyl)-N-ethyl-2-methylpropan-1-amine
CID 63627903
3-[3,3-diethoxypropyl(ethyl)amino]propanenitrile
CID 63628604
N-(3,3-diethoxypropyl)-N,2-diethylbutan-1-amine
CID 55247243
2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63692096
methyl 3-[3,3-diethoxypropyl(ethyl)amino]propanoate
CID 81090824
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 58803335
4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63697379
4-[4-[2-ethoxyethyl(ethyl)amino]butan-2-yl]aniline
CID 104501682
N-(3-ethoxy-3-methoxypropyl)-N,5-diethylheptan-1-amine
CID 163532667
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
CID 82954187
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine?
The IUPAC name of 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine (CID 63698274) is 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine is CCOCCN(CC)CCC(OCC)OCC.
What is the InChIKey of 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine?
The InChIKey is NICNMBSYGNRGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-5-14(11-12-15-6-2)10-9-13(16-7-3)17-8-4/h13H,5-12H2,1-4H3.
What are the key properties of 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine?
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 2.13, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 63698274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).