(NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine

C12H19NO — CID 98474842

IUPAC(NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine
SMILESCC1(C)C2=CCCC[C@H]2CC/C1=N\O
InChIInChI=1S/C12H19NO/c1-12(2)10-6-4-3-5-9(10)7-8-11(12)13-14/h6,9,14H,3-5,7-8H2,1-2H3/b13-11+/t9-/m0/s1
InChIKeyRDIKGIOQSIHVHA-QYARFRDLSA-N
MW193.29 g/mol
LogP3.36
Rot. Bonds

About (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine

(NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine (PubChem CID 98474842) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine
PubChem CID98474842
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine
SMILESCC1(C)C2=CCCC[C@H]2CC/C1=N\O
InChIInChI=1S/C12H19NO/c1-12(2)10-6-4-3-5-9(10)7-8-11(12)13-14/h6,9,14H,3-5,7-8H2,1-2H3/b13-11+/t9-/m0/s1
InChIKeyRDIKGIOQSIHVHA-QYARFRDLSA-N
XLogP3.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.36
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'}

Analyze (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine with MolForge

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Related Compounds

(NE)-N-[(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]hydroxylamine
CID 44310974
2-(1-Cyclohexenyl)cyclohexanone oxime
CID 6104731
Menth-4-en-3-one oxime
CID 75089472
(r)-5-Methyl-2-(1-methylethyl)-2-cyclohexen-1-one oxime
CID 129819629
(NZ)-N-[(3R,4aS,8aR)-3-methyl-3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 162416980
(2E)-N-hydroxy-1-(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)propan-2-imine
CID 5348740
(NZ)-N-(8a-methyl-2,3,4,4a,5,8-hexahydronaphthalen-1-ylidene)hydroxylamine
CID 5382663
(NZ)-N-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylidene]hydroxylamine
CID 5729323
(1E)-1-(3,3-dimethylcyclohex-1-en-1-yl)-N-hydroxyethanimine
CID 5805604
(NE)-N-(1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene)hydroxylamine
CID 6392683
(NE)-N-[(E)-8-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-6-methyloct-5-en-2-ylidene]hydroxylamine
CID 9590646
(1E)-N-hydroxy-1-(2,3,8,8-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanimine
CID 24214367

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine (CID 98474842) is (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine is CC1(C)C2=CCCC[C@H]2CC/C1=N\O.
What is the InChIKey of (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine?
The InChIKey is RDIKGIOQSIHVHA-QYARFRDLSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2)10-6-4-3-5-9(10)7-8-11(12)13-14/h6,9,14H,3-5,7-8H2,1-2H3/b13-11+/t9-/m0/s1.
What are the key properties of (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine?
(NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine has a molecular weight of 193.29 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4aS)-1,1-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-ylidene]hydroxylamine is sourced from PubChem (CID 98474842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).