1,1-diethoxy-5-methoxy-N-methylpentan-2-amine

C11H25NO3 — CID 114856424

IUPAC1,1-diethoxy-5-methoxy-N-methylpentan-2-amine
SMILESCCOC(OCC)C(CCCOC)NC
InChIInChI=1S/C11H25NO3/c1-5-14-11(15-6-2)10(12-3)8-7-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyGGMBBUCYOYVUGC-UHFFFAOYSA-N
MW219.32 g/mol
LogP1.40
Rot. Bonds10

About 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine

1,1-diethoxy-5-methoxy-N-methylpentan-2-amine (PubChem CID 114856424) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-5-methoxy-N-methylpentan-2-amine
PubChem CID114856424
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1,1-diethoxy-5-methoxy-N-methylpentan-2-amine
SMILESCCOC(OCC)C(CCCOC)NC
InChIInChI=1S/C11H25NO3/c1-5-14-11(15-6-2)10(12-3)8-7-9-13-4/h10-12H,5-9H2,1-4H3
InChIKeyGGMBBUCYOYVUGC-UHFFFAOYSA-N
XLogP1.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 51.40
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'}

Analyze 1,1-diethoxy-5-methoxy-N-methylpentan-2-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

1,1-diethoxy-N-methylundecan-2-amine
CID 79495971
1,1,3-triethoxy-N-methylpropan-2-amine
CID 79570224
2-ethoxy-6-methoxy-N-propylhexan-3-amine
CID 115640781
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
8-methoxy-N,4-dimethyloctan-3-amine
CID 104648384
1,1,1-trifluoro-7-methoxy-N-methyl-2-(trifluoromethyl)heptan-3-amine
CID 112754832
(1-cyclohexyl-1-ethoxy-5-methoxypentan-2-yl)hydrazine
CID 105278914
1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 79496181
3-ethoxy-1,5-dimethoxypentane
CID 20810650
(2S)-5-methoxypentan-2-amine
CID 93315322
1,1-diethoxy-3-methoxy-2-(methoxymethyl)propane
CID 58765891
1-methoxy-N,6-dimethylheptan-4-amine
CID 62601315

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine (CID 114856424) is 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine is CCOC(OCC)C(CCCOC)NC.
What is the InChIKey of 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine?
The InChIKey is GGMBBUCYOYVUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-5-14-11(15-6-2)10(12-3)8-7-9-13-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine?
1,1-diethoxy-5-methoxy-N-methylpentan-2-amine has a molecular weight of 219.32 g/mol, XLogP of 1.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-5-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 114856424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).