(NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine

C15H23NO — CID 139836558

IUPAC(NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine
SMILESC=C1CCC23CC1C(C)(C)C2/C(=N/O)CC3C
InChIInChI=1S/C15H23NO/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16-17)7-10(15)2/h10-11,13,17H,1,5-8H2,2-4H3/b16-12+
InChIKeyBLUTWRFZYLACSH-FOWTUZBSSA-N
MW233.35 g/mol
LogP3.86
Rot. Bonds

About (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine

(NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine (PubChem CID 139836558) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine
PubChem CID139836558
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine
SMILESC=C1CCC23CC1C(C)(C)C2/C(=N/O)CC3C
InChIInChI=1S/C15H23NO/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16-17)7-10(15)2/h10-11,13,17H,1,5-8H2,2-4H3/b16-12+
InChIKeyBLUTWRFZYLACSH-FOWTUZBSSA-N
XLogP3.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.86
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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Related Compounds

methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
CID 517651
(2,3,6,6-tetramethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)methanone
CID 140581437
(1R,2R,3S,4S,6R,7R,8R,9E,14R)-4-ethenyl-9-hydroxyimino-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecane-3,6-diol
CID 172942953
N-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene]hydroxylamine
CID 6708629
6a-methyl-4-methylidene-1,2,3,3a,5,6-hexahydropentalen-1-ol
CID 14262022
(NE)-N-(7-methyl-1,4-dioxaspiro[4.5]decan-8-ylidene)hydroxylamine
CID 118230325
(3aS)-1,7a-dimethyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 142040574
(1R,3R,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 125475535
(1S,3S,4E,6R)-4-hydroxyimino-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 125475532
(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
CID 67218234
(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
CID 133083101
3,3',4,4-tetramethylspiro[1,2,3,4a,5,7,8,8a-octahydronaphthalene-6,2'-cyclopropane]-1'-ol
CID 67377373

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine (CID 139836558) is (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine is C=C1CCC23CC1C(C)(C)C2/C(=N/O)CC3C.
What is the InChIKey of (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine?
The InChIKey is BLUTWRFZYLACSH-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H23NO/c1-9-5-6-15-8-11(9)14(3,4)13(15)12(16-17)7-10(15)2/h10-11,13,17H,1,5-8H2,2-4H3/b16-12+.
What are the key properties of (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine?
(NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine has a molecular weight of 233.35 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine is sourced from PubChem (CID 139836558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).