2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine

C15H31NO3 — CID 103179364

IUPAC2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
SMILESCCC1(CC)CC(NCCOCCCOC)CCO1
InChIInChI=1S/C15H31NO3/c1-4-15(5-2)13-14(7-11-19-15)16-8-12-18-10-6-9-17-3/h14,16H,4-13H2,1-3H3
InChIKeyOOANZEXBYGAVKF-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.37
Rot. Bonds10

About 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine

2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine (PubChem CID 103179364) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
PubChem CID103179364
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
SMILESCCC1(CC)CC(NCCOCCCOC)CCO1
InChIInChI=1S/C15H31NO3/c1-4-15(5-2)13-14(7-11-19-15)16-8-12-18-10-6-9-17-3/h14,16H,4-13H2,1-3H3
InChIKeyOOANZEXBYGAVKF-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-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

N-[2-(2-methoxyethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895389
N-(2-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83033801
N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895357
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
2,2-diethyl-N-[2-(oxolan-2-yl)ethyl]oxan-4-amine
CID 83032582
N-(3-methoxypropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898117
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
N-[2-(3-methoxypropoxy)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 103179062
1-amino-3-(2,2-diethyloxan-4-yl)-2-(2-methoxyethyl)guanidine
CID 104887998
methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate
CID 83033168
N-[2-(3-methoxypropoxy)ethyl]-1-methylpiperidin-4-amine
CID 103178542

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine (CID 103179364) is 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine is CCC1(CC)CC(NCCOCCCOC)CCO1.
What is the InChIKey of 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
The InChIKey is OOANZEXBYGAVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-4-15(5-2)13-14(7-11-19-15)16-8-12-18-10-6-9-17-3/h14,16H,4-13H2,1-3H3.
What are the key properties of 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine has a molecular weight of 273.42 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 103179364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).