2,2-diethoxy-N-(2-methylpropoxy)ethanamine

C10H23NO3 — CID 82714948

IUPAC2,2-diethoxy-N-(2-methylpropoxy)ethanamine
SMILESCCOC(CNOCC(C)C)OCC
InChIInChI=1S/C10H23NO3/c1-5-12-10(13-6-2)7-11-14-8-9(3)4/h9-11H,5-8H2,1-4H3
InChIKeyDRHGFNZWXYCBAB-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.56
Rot. Bonds9

About 2,2-diethoxy-N-(2-methylpropoxy)ethanamine

2,2-diethoxy-N-(2-methylpropoxy)ethanamine (PubChem CID 82714948) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2-diethoxy-N-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-(2-methylpropoxy)ethanamine
PubChem CID82714948
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name2,2-diethoxy-N-(2-methylpropoxy)ethanamine
SMILESCCOC(CNOCC(C)C)OCC
InChIInChI=1S/C10H23NO3/c1-5-12-10(13-6-2)7-11-14-8-9(3)4/h9-11H,5-8H2,1-4H3
InChIKeyDRHGFNZWXYCBAB-UHFFFAOYSA-N
XLogP1.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-diethoxy-N-(2-methylpropoxy)ethanamine 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

(2R,3R)-N-(2,2-diethoxyethyl)-3-methylpentan-2-amine
CID 97048981
ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
CID 103261561
1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol
CID 82714833
1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 106990337
2-amino-3-(2-methylpropoxyamino)propanoic acid
CID 103261578
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
N-(2,2-diethoxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63618860
2-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-1-amine
CID 106452518
CID 57451317
CID 57451317
1-(1-ethoxypropoxy)-3-methylbutane
CID 53422435
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-(2-methylpropoxy)ethanamine?
The IUPAC name of 2,2-diethoxy-N-(2-methylpropoxy)ethanamine (CID 82714948) is 2,2-diethoxy-N-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-(2-methylpropoxy)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-(2-methylpropoxy)ethanamine is CCOC(CNOCC(C)C)OCC.
What is the InChIKey of 2,2-diethoxy-N-(2-methylpropoxy)ethanamine?
The InChIKey is DRHGFNZWXYCBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-5-12-10(13-6-2)7-11-14-8-9(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2,2-diethoxy-N-(2-methylpropoxy)ethanamine?
2,2-diethoxy-N-(2-methylpropoxy)ethanamine has a molecular weight of 205.30 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 82714948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).