methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate

C19H24N2O2 — CID 10638864

IUPACmethyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate
SMILESCOC(=O)/N=C(/N=C1/C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-18(2)14-10-11-19(3,12-14)16(18)20-15(21-17(22)23-4)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/b20-16-,21-15+/t14-,19+/m0/s1
InChIKeyGRXZCKCSQZCASC-NOTPUXPBSA-N
MW312.41 g/mol
LogP4.49
Rot. Bonds1

About methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate

methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate (PubChem CID 10638864) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate.

Molecular Properties

Compound Namemethyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate
PubChem CID10638864
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namemethyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate
SMILESCOC(=O)/N=C(/N=C1/C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-18(2)14-10-11-19(3,12-14)16(18)20-15(21-17(22)23-4)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/b20-16-,21-15+/t14-,19+/m0/s1
InChIKeyGRXZCKCSQZCASC-NOTPUXPBSA-N
XLogP4.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(E)-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] benzoate
CID 6339508
[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] benzoate
CID 3883785
(1S)-2,2-diphenyl-N-[(E)-[(1R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]cyclopropane-1-carboxamide
CID 98789597
methyl (NE)-N-[(dimethylaminomethylideneamino)-phenylmethylidene]carbamate
CID 10752103
methyl N-methoxycarbonylbenzenecarboximidate
CID 86114469
methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate
CID 74010338
1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-imine
CID 14893011
methyl (1R,2S,4S)-2-hydroxy-4-methyl-4-phenylcyclohexane-1-carboxylate
CID 98169124
(1S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 6560191
methyl 2-[4-(dimethylamino)-4-phenylcyclohexyl]acetate;hydrochloride
CID 67386483
(4-methoxycarbonylphenyl) (1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylate
CID 50937914
(1R,4S)-N-benzyl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6562236

Frequently Asked Questions

What is the IUPAC name of methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate?
The IUPAC name of methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate (CID 10638864) is methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate.
What is the SMILES notation for methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate?
The canonical SMILES for methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate is COC(=O)/N=C(/N=C1/C(C)(C)[C@H]2CC[C@]1(C)C2)c1ccccc1.
What is the InChIKey of methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate?
The InChIKey is GRXZCKCSQZCASC-NOTPUXPBSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-18(2)14-10-11-19(3,12-14)16(18)20-15(21-17(22)23-4)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3/b20-16-,21-15+/t14-,19+/m0/s1.
What are the key properties of methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate?
methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate has a molecular weight of 312.41 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NE)-N-[phenyl-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methylidene]carbamate is sourced from PubChem (CID 10638864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).