[(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate

C13H20N2O2 — CID 6224370

IUPAC[(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate
SMILESC=C1/C(=N/OC(=O)NCC)CC2CC1C2(C)C
InChIInChI=1S/C13H20N2O2/c1-5-14-12(16)17-15-11-7-9-6-10(8(11)2)13(9,3)4/h9-10H,2,5-7H2,1,3-4H3,(H,14,16)/b15-11+
InChIKeyCOEJNDMPKBRNOQ-RVDMUPIBSA-N
MW236.31 g/mol
LogP2.71
Rot. Bonds2

About [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate

[(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate (PubChem CID 6224370) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate.

Molecular Properties

Compound Name[(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate
PubChem CID6224370
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate
SMILESC=C1/C(=N/OC(=O)NCC)CC2CC1C2(C)C
InChIInChI=1S/C13H20N2O2/c1-5-14-12(16)17-15-11-7-9-6-10(8(11)2)13(9,3)4/h9-10H,2,5-7H2,1,3-4H3,(H,14,16)/b15-11+
InChIKeyCOEJNDMPKBRNOQ-RVDMUPIBSA-N
XLogP2.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-(4-methylphenyl)carbamate
CID 45100292
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate
CID 557688
(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl)methylcarbamic acid
CID 18782852
ethyl (2Z)-2-(6,6-dimethyl-2-oxo-3-bicyclo[3.1.1]heptanylidene)-2-hydroxyacetate
CID 66766655
(1R,3S,5S)-3-ethyl-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
CID 90954525
bis(ethylcarbamoyloxymethyl)boranylmethyl N-ethylcarbamate
CID 59950979
[(3R,8R,9S,10R,13S,14S,17Z)-17-(ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-ethylcarbamate
CID 99574131
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl carbamate
CID 131003222
tert-butyl N-[(Z)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]carbamate
CID 29224666
(5S)-6,6-dimethyl-3-methylidenebicyclo[3.1.1]heptane
CID 173165956
ethyl N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]carbamate
CID 4671305

Frequently Asked Questions

What is the IUPAC name of [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate?
The IUPAC name of [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate (CID 6224370) is [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate.
What is the SMILES notation for [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate?
The canonical SMILES for [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate is C=C1/C(=N/OC(=O)NCC)CC2CC1C2(C)C.
What is the InChIKey of [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate?
The InChIKey is COEJNDMPKBRNOQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-14-12(16)17-15-11-7-9-6-10(8(11)2)13(9,3)4/h9-10H,2,5-7H2,1,3-4H3,(H,14,16)/b15-11+.
What are the key properties of [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate?
[(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate has a molecular weight of 236.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate is sourced from PubChem (CID 6224370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).