N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine

C17H25NO — CID 79898400

IUPACN-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCc1cccc(NC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H25NO/c1-2-14-6-5-7-15(12-14)18-16-8-11-19-17(13-16)9-3-4-10-17/h5-7,12,16,18H,2-4,8-11,13H2,1H3
InChIKeyQLYONCHKZSRVDS-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.15
Rot. Bonds3

About N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine

N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 79898400) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID79898400
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESCCc1cccc(NC2CCOC3(CCCC3)C2)c1
InChIInChI=1S/C17H25NO/c1-2-14-6-5-7-15(12-14)18-16-8-11-19-17(13-16)9-3-4-10-17/h5-7,12,16,18H,2-4,8-11,13H2,1H3
InChIKeyQLYONCHKZSRVDS-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-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-[3-(methoxymethyl)phenyl]-6-oxaspiro[4.5]decan-9-amine
CID 79895159
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(4-propylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897977
N-cyclohexyl-3-ethylaniline
CID 11009024
N-(3-bromo-4-methylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903117
N-(4-methylphenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79898330
N-(3-methylphenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897685
N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897869
4-N,4-N-dimethyl-1-N-(6-oxaspiro[4.5]decan-9-yl)benzene-1,4-diamine
CID 79895626
4-(3-ethylanilino)oxolan-3-ol
CID 60902246
N-(3-chloro-4-methoxyphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898004
N-(3-ethoxyphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894794

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine (CID 79898400) is N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine is CCc1cccc(NC2CCOC3(CCCC3)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is QLYONCHKZSRVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-14-6-5-7-15(12-14)18-16-8-11-19-17(13-16)9-3-4-10-17/h5-7,12,16,18H,2-4,8-11,13H2,1H3.
What are the key properties of N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine?
N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 259.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79898400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).