N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C21H32N2O2 — CID 110131294

IUPACN-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1ccc(N(C)C2COC3(CCN(C4CCOCC4)CC3)C2)cc1
InChIInChI=1S/C21H32N2O2/c1-17-3-5-18(6-4-17)22(2)20-15-21(25-16-20)9-11-23(12-10-21)19-7-13-24-14-8-19/h3-6,19-20H,7-16H2,1-2H3
InChIKeyYOFBSZFSOCZHHO-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.23
Rot. Bonds3

About N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 110131294) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID110131294
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCc1ccc(N(C)C2COC3(CCN(C4CCOCC4)CC3)C2)cc1
InChIInChI=1S/C21H32N2O2/c1-17-3-5-18(6-4-17)22(2)20-15-21(25-16-20)9-11-23(12-10-21)19-7-13-24-14-8-19/h3-6,19-20H,7-16H2,1-2H3
InChIKeyYOFBSZFSOCZHHO-UHFFFAOYSA-N
XLogP3.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-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-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 110131294) is N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is Cc1ccc(N(C)C2COC3(CCN(C4CCOCC4)CC3)C2)cc1.
What is the InChIKey of N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is YOFBSZFSOCZHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17-3-5-18(6-4-17)22(2)20-15-21(25-16-20)9-11-23(12-10-21)19-7-13-24-14-8-19/h3-6,19-20H,7-16H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 344.50 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylphenyl)-8-(oxan-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 110131294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).