(NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine

C15H25NO — CID 20675918

IUPAC(NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine
SMILESCC1C(C)(C)C2=C(C(/C=N/O)CCC2)C1(C)C
InChIInChI=1S/C15H25NO/c1-10-14(2,3)12-8-6-7-11(9-16-17)13(12)15(10,4)5/h9-11,17H,6-8H2,1-5H3/b16-9+
InChIKeyOYXNLAPYQCXETR-CXUHLZMHSA-N
MW235.37 g/mol
LogP4.25
Rot. Bonds1

About (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine

(NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine (PubChem CID 20675918) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine
PubChem CID20675918
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine
SMILESCC1C(C)(C)C2=C(C(/C=N/O)CCC2)C1(C)C
InChIInChI=1S/C15H25NO/c1-10-14(2,3)12-8-6-7-11(9-16-17)13(12)15(10,4)5/h9-11,17H,6-8H2,1-5H3/b16-9+
InChIKeyOYXNLAPYQCXETR-CXUHLZMHSA-N
XLogP4.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine (CID 20675918) is (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine is CC1C(C)(C)C2=C(C(/C=N/O)CCC2)C1(C)C.
What is the InChIKey of (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine?
The InChIKey is OYXNLAPYQCXETR-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-14(2,3)12-8-6-7-11(9-16-17)13(12)15(10,4)5/h9-11,17H,6-8H2,1-5H3/b16-9+.
What are the key properties of (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine?
(NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine has a molecular weight of 235.37 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-inden-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 20675918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).