(NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine

C10H16N2O — CID 21258585

IUPAC(NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESNC1CCC2=C(CCC/C2=N\O)C1
InChIInChI=1S/C10H16N2O/c11-8-4-5-9-7(6-8)2-1-3-10(9)12-13/h8,13H,1-6,11H2/b12-10+
InChIKeyBHHICYCUBAFYET-ZRDIBKRKSA-N
MW180.25 g/mol
LogP1.81
Rot. Bonds

About (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine

(NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 21258585) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID21258585
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESNC1CCC2=C(CCC/C2=N\O)C1
InChIInChI=1S/C10H16N2O/c11-8-4-5-9-7(6-8)2-1-3-10(9)12-13/h8,13H,1-6,11H2/b12-10+
InChIKeyBHHICYCUBAFYET-ZRDIBKRKSA-N
XLogP1.81
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 21258585) is (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine is NC1CCC2=C(CCC/C2=N\O)C1.
What is the InChIKey of (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is BHHICYCUBAFYET-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H16N2O/c11-8-4-5-9-7(6-8)2-1-3-10(9)12-13/h8,13H,1-6,11H2/b12-10+.
What are the key properties of (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 180.25 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(6-amino-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 21258585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).