N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine

C12H21NO — CID 2750895

IUPACN-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine
SMILESCC(=NO)C1CC2(C)CCC1C2(C)C
InChIInChI=1S/C12H21NO/c1-8(13-14)9-7-12(4)6-5-10(9)11(12,2)3/h9-10,14H,5-7H2,1-4H3
InChIKeyNUWFQLFOAKRPIR-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.30
Rot. Bonds1

About N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine

N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine (PubChem CID 2750895) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine
PubChem CID2750895
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine
SMILESCC(=NO)C1CC2(C)CCC1C2(C)C
InChIInChI=1S/C12H21NO/c1-8(13-14)9-7-12(4)6-5-10(9)11(12,2)3/h9-10,14H,5-7H2,1-4H3
InChIKeyNUWFQLFOAKRPIR-UHFFFAOYSA-N
XLogP3.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(NE)-N-[1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylidene]hydroxylamine
CID 51405756
[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethylideneamino]urea
CID 11897566
[(1S,2S,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 18389944
[(Z)-1-[(1R,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
CID 7324857
[(Z)-1-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propylideneamino]urea
CID 11897562
[(1R,2S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl acetate
CID 7054470
2-[(1S,2R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 99646802
(1S,2R,4S)-3,3,4-trimethylbicyclo[2.2.1]heptan-2-ol
CID 129408816
N-[1-[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethylidene]hydroxylamine
CID 90067851
azane;1,2,2,3-tetramethylbicyclo[2.2.1]heptane
CID 69287964
(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxymethyl 2-methylbutanoate
CID 59503155
(3R,5S,8R,9S,10S,13R,14R,17R)-17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 125036997

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine (CID 2750895) is N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine is CC(=NO)C1CC2(C)CCC1C2(C)C.
What is the InChIKey of N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine?
The InChIKey is NUWFQLFOAKRPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(13-14)9-7-12(4)6-5-10(9)11(12,2)3/h9-10,14H,5-7H2,1-4H3.
What are the key properties of N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine?
N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine has a molecular weight of 195.31 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)ethylidene]hydroxylamine is sourced from PubChem (CID 2750895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).