N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C16H23NO2 — CID 77067678

IUPACN-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCC(C)(C)CCOc1cccc2c1CCCC2=NO
InChIInChI=1S/C16H23NO2/c1-16(2,3)10-11-19-15-9-5-6-12-13(15)7-4-8-14(12)17-18/h5-6,9,18H,4,7-8,10-11H2,1-3H3
InChIKeyRGWLPSRXLNKKHP-UHFFFAOYSA-N
MW261.36 g/mol
LogP4.02
Rot. Bonds3

About N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 77067678) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID77067678
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCC(C)(C)CCOc1cccc2c1CCCC2=NO
InChIInChI=1S/C16H23NO2/c1-16(2,3)10-11-19-15-9-5-6-12-13(15)7-4-8-14(12)17-18/h5-6,9,18H,4,7-8,10-11H2,1-3H3
InChIKeyRGWLPSRXLNKKHP-UHFFFAOYSA-N
XLogP4.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine 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-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 77067678) is N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is CC(C)(C)CCOc1cccc2c1CCCC2=NO.
What is the InChIKey of N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is RGWLPSRXLNKKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)10-11-19-15-9-5-6-12-13(15)7-4-8-14(12)17-18/h5-6,9,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 261.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-dimethylbutoxy)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 77067678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).