N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine

C16H23NO — CID 175972405

IUPACN,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine
SMILESCN(C)C1CCC2(CCOCC2)c2ccccc21
InChIInChI=1S/C16H23NO/c1-17(2)15-7-8-16(9-11-18-12-10-16)14-6-4-3-5-13(14)15/h3-6,15H,7-12H2,1-2H3
InChIKeyYKUTUDZIOLICPS-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.13
Rot. Bonds1

About N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine

N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine (PubChem CID 175972405) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine.

Molecular Properties

Compound NameN,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine
PubChem CID175972405
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine
SMILESCN(C)C1CCC2(CCOCC2)c2ccccc21
InChIInChI=1S/C16H23NO/c1-17(2)15-7-8-16(9-11-18-12-10-16)14-6-4-3-5-13(14)15/h3-6,15H,7-12H2,1-2H3
InChIKeyYKUTUDZIOLICPS-UHFFFAOYSA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine?
The IUPAC name of N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine (CID 175972405) is N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine.
What is the SMILES notation for N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine?
The canonical SMILES for N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine is CN(C)C1CCC2(CCOCC2)c2ccccc21.
What is the InChIKey of N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine?
The InChIKey is YKUTUDZIOLICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17(2)15-7-8-16(9-11-18-12-10-16)14-6-4-3-5-13(14)15/h3-6,15H,7-12H2,1-2H3.
What are the key properties of N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine?
N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylspiro[2,3-dihydro-1H-naphthalene-4,4'-oxane]-1-amine is sourced from PubChem (CID 175972405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).