(3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

C14H20N2O — CID 124546831

IUPAC(3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1cccc(N[C@@H]2CO[C@]3(CCNC3)C2)c1
InChIInChI=1S/C14H20N2O/c1-11-3-2-4-12(7-11)16-13-8-14(17-9-13)5-6-15-10-14/h2-4,7,13,15-16H,5-6,8-10H2,1H3/t13-,14+/m0/s1
InChIKeyNEWIHMPRBHSVJE-UONOGXRCSA-N
MW232.33 g/mol
LogP1.93
Rot. Bonds2

About (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 124546831) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound Name(3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID124546831
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESCc1cccc(N[C@@H]2CO[C@]3(CCNC3)C2)c1
InChIInChI=1S/C14H20N2O/c1-11-3-2-4-12(7-11)16-13-8-14(17-9-13)5-6-15-10-14/h2-4,7,13,15-16H,5-6,8-10H2,1H3/t13-,14+/m0/s1
InChIKeyNEWIHMPRBHSVJE-UONOGXRCSA-N
XLogP1.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-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

Related Compounds

(3R,5S)-N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486953
N-pyridin-3-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131648185
N-(3-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897456
N-(3-methylphenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79897685
N-(3-fluoro-2-pyridinyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 121229442
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
(3S)-N-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97193871
N-(3-methylphenyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine
CID 120900928
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455
(3R,5S)-7-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97485844
3-[(3-methylanilino)methyl]pyrrolidin-3-ol
CID 105459326
N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105470482

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 124546831) is (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is Cc1cccc(N[C@@H]2CO[C@]3(CCNC3)C2)c1.
What is the InChIKey of (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is NEWIHMPRBHSVJE-UONOGXRCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-3-2-4-12(7-11)16-13-8-14(17-9-13)5-6-15-10-14/h2-4,7,13,15-16H,5-6,8-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
(3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-(3-methylphenyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 124546831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).