N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine

C16H23NO — CID 2747574

IUPACN-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C16H23NO/c1-11(17-18)12-6-7-13-14(10-12)16(4,5)9-8-15(13,2)3/h6-7,10,18H,8-9H2,1-5H3
InChIKeyGTSIYLVKCYDJHQ-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.23
Rot. Bonds1

About N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine

N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine (PubChem CID 2747574) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine
PubChem CID2747574
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C16H23NO/c1-11(17-18)12-6-7-13-14(10-12)16(4,5)9-8-15(13,2)3/h6-7,10,18H,8-9H2,1-5H3
InChIKeyGTSIYLVKCYDJHQ-UHFFFAOYSA-N
XLogP4.23
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine (CID 2747574) is N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine is CC(=NO)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine?
The InChIKey is GTSIYLVKCYDJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(17-18)12-6-7-13-14(10-12)16(4,5)9-8-15(13,2)3/h6-7,10,18H,8-9H2,1-5H3.
What are the key properties of N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine?
N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine has a molecular weight of 245.37 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 2747574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).