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

C12H20N2O — CID 21258586

IUPAC(NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCCNC1CCC2=C(CCC/C2=N\O)C1
InChIInChI=1S/C12H20N2O/c1-2-13-10-6-7-11-9(8-10)4-3-5-12(11)14-15/h10,13,15H,2-8H2,1H3/b14-12+
InChIKeyLXCANFJYIZSBHW-WYMLVPIESA-N
MW208.30 g/mol
LogP2.46
Rot. Bonds2

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

(NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 21258586) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID21258586
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCCNC1CCC2=C(CCC/C2=N\O)C1
InChIInChI=1S/C12H20N2O/c1-2-13-10-6-7-11-9(8-10)4-3-5-12(11)14-15/h10,13,15H,2-8H2,1H3/b14-12+
InChIKeyLXCANFJYIZSBHW-WYMLVPIESA-N
XLogP2.46
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.46
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-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 21258586) is (NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is CCNC1CCC2=C(CCC/C2=N\O)C1.
What is the InChIKey of (NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is LXCANFJYIZSBHW-WYMLVPIESA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-13-10-6-7-11-9(8-10)4-3-5-12(11)14-15/h10,13,15H,2-8H2,1H3/b14-12+.
What are the key properties of (NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 208.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[6-(ethylamino)-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 21258586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).