4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline

C11H14N2O — CID 90346112

IUPAC4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline
SMILESNc1ccc(N2CC3(CCO3)C2)cc1
InChIInChI=1S/C11H14N2O/c12-9-1-3-10(4-2-9)13-7-11(8-13)5-6-14-11/h1-4H,5-8,12H2
InChIKeyYODUCUMGCYDKCM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.25
Rot. Bonds1

About 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline

4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline (PubChem CID 90346112) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline.

Molecular Properties

Compound Name4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline
PubChem CID90346112
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline
SMILESNc1ccc(N2CC3(CCO3)C2)cc1
InChIInChI=1S/C11H14N2O/c12-9-1-3-10(4-2-9)13-7-11(8-13)5-6-14-11/h1-4H,5-8,12H2
InChIKeyYODUCUMGCYDKCM-UHFFFAOYSA-N
XLogP1.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline?
The IUPAC name of 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline (CID 90346112) is 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline.
What is the SMILES notation for 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline?
The canonical SMILES for 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline is Nc1ccc(N2CC3(CCO3)C2)cc1.
What is the InChIKey of 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline?
The InChIKey is YODUCUMGCYDKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-9-1-3-10(4-2-9)13-7-11(8-13)5-6-14-11/h1-4H,5-8,12H2.
What are the key properties of 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline?
4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline has a molecular weight of 190.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxa-6-azaspiro[3.3]heptan-6-yl)aniline is sourced from PubChem (CID 90346112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).