N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

C16H31NO2 — CID 103028542

IUPACN-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H31NO2/c1-5-17-14(12-15(2,3)18-4)13-7-10-19-16(11-13)8-6-9-16/h13-14,17H,5-12H2,1-4H3
InChIKeyRWUCKRFKHVVZHY-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds6

About N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (PubChem CID 103028542) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
PubChem CID103028542
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC2(CCC2)C1
InChIInChI=1S/C16H31NO2/c1-5-17-14(12-15(2,3)18-4)13-7-10-19-16(11-13)8-6-9-16/h13-14,17H,5-12H2,1-4H3
InChIKeyRWUCKRFKHVVZHY-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (CID 103028542) is N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is CCNC(CC(C)(C)OC)C1CCOC2(CCC2)C1.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The InChIKey is RWUCKRFKHVVZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-17-14(12-15(2,3)18-4)13-7-10-19-16(11-13)8-6-9-16/h13-14,17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is sourced from PubChem (CID 103028542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).