(NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine

C10H18N2O — CID 6370104

IUPAC(NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
SMILESCC12CCC(C(N)/C1=N/O)C2(C)C
InChIInChI=1S/C10H18N2O/c1-9(2)6-4-5-10(9,3)8(12-13)7(6)11/h6-7,13H,4-5,11H2,1-3H3/b12-8-
InChIKeyOGTKYQNLHJRKMD-WQLSENKSSA-N
MW182.27 g/mol
LogP1.60
Rot. Bonds

About (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine

(NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine (PubChem CID 6370104) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
PubChem CID6370104
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
SMILESCC12CCC(C(N)/C1=N/O)C2(C)C
InChIInChI=1S/C10H18N2O/c1-9(2)6-4-5-10(9,3)8(12-13)7(6)11/h6-7,13H,4-5,11H2,1-3H3/b12-8-
InChIKeyOGTKYQNLHJRKMD-WQLSENKSSA-N
XLogP1.60
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.60
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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Related Compounds

N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
CID 2750642
[(1S,2S,3E,4R)-3-hydroxyimino-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] selenohypobromite
CID 10903459
N-(1,7,7-trimethyl-3-pyridin-1-ium-1-yl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine
CID 3847818
(1R,3E,4S)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 7271809
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
(E)-N-[(Z)-[(1S,3R,4S)-3-bromo-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-N'-[(Z)-[(1R,3R,4R)-3-bromo-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]but-2-enediamide
CID 98462739
(NZ)-N-[(1R,5S)-1,8,8-trimethyl-2-bicyclo[3.2.1]octanylidene]hydroxylamine
CID 23376293
(1R,3S,4S)-3-chloro-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 76963025
hexakis(N-(3-hydroxyimino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine);nickel;silver
CID 135462655
(1R,3S)-3-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 131181862
(1R,4R)-1,7,7-trimethyl-3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carbonyl]bicyclo[2.2.1]heptan-2-one
CID 10936436
(1R,3S,4S)-1,7,7-trimethyl-3-[(1R,2S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 98545590

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine (CID 6370104) is (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine is CC12CCC(C(N)/C1=N/O)C2(C)C.
What is the InChIKey of (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
The InChIKey is OGTKYQNLHJRKMD-WQLSENKSSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)6-4-5-10(9,3)8(12-13)7(6)11/h6-7,13H,4-5,11H2,1-3H3/b12-8-.
What are the key properties of (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine?
(NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine has a molecular weight of 182.27 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-amino-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydroxylamine is sourced from PubChem (CID 6370104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).