N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine

C17H31NO2 — CID 103910972

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine
SMILESCCOC1CC(NC2CCOC(C)C2)C12CCCCC2
InChIInChI=1S/C17H31NO2/c1-3-19-16-12-15(17(16)8-5-4-6-9-17)18-14-7-10-20-13(2)11-14/h13-16,18H,3-12H2,1-2H3
InChIKeyOZOOCLTVNLFVBA-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.27
Rot. Bonds4

About N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine

N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine (PubChem CID 103910972) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine
PubChem CID103910972
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine
SMILESCCOC1CC(NC2CCOC(C)C2)C12CCCCC2
InChIInChI=1S/C17H31NO2/c1-3-19-16-12-15(17(16)8-5-4-6-9-17)18-14-7-10-20-13(2)11-14/h13-16,18H,3-12H2,1-2H3
InChIKeyOZOOCLTVNLFVBA-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-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

(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 100627103
(3R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 99630641
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
3-ethoxy-N-(2-methylcyclopentyl)spiro[3.5]nonan-1-amine
CID 65169819
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine
CID 103921430
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propan-2-ylpiperidin-4-amine
CID 64864609
N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864239

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine (CID 103910972) is N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine is CCOC1CC(NC2CCOC(C)C2)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine?
The InChIKey is OZOOCLTVNLFVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-19-16-12-15(17(16)8-5-4-6-9-17)18-14-7-10-20-13(2)11-14/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine?
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine has a molecular weight of 281.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine is sourced from PubChem (CID 103910972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).