[1-(benzhydrylideneamino)cyclopropyl]methyl carbamate

C18H18N2O2 — CID 175042036

IUPAC[1-(benzhydrylideneamino)cyclopropyl]methyl carbamate
SMILESNC(=O)OCC1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H18N2O2/c19-17(21)22-13-18(11-12-18)20-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,19,21)
InChIKeyXVVAZMDBRDERRE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.15
Rot. Bonds5

About [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate

[1-(benzhydrylideneamino)cyclopropyl]methyl carbamate (PubChem CID 175042036) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate.

Molecular Properties

Compound Name[1-(benzhydrylideneamino)cyclopropyl]methyl carbamate
PubChem CID175042036
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[1-(benzhydrylideneamino)cyclopropyl]methyl carbamate
SMILESNC(=O)OCC1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H18N2O2/c19-17(21)22-13-18(11-12-18)20-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,19,21)
InChIKeyXVVAZMDBRDERRE-UHFFFAOYSA-N
XLogP3.15
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate
CID 14340053
(benzhydrylideneamino) hydrogen carbonate
CID 91323284
(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate
CID 175201473
1-(benzoyloxymethyl)cyclopropane-1-carboxylic acid
CID 174589063
(1-methylcyclopropyl)methyl benzoate
CID 10465127
benzamide;1,1-dichlorocyclopropane
CID 175468007
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
[amino(phenyl)methylidene]carbamic acid
CID 54409873
[1-(methylamino)cyclopropyl]methyl benzoate
CID 155255956
carbamoyl benzoate;1-hydroxypyrrolidine-2,5-dione
CID 175255540
(diaminomethylideneamino) 3-oxo-3-phenylpropanoate
CID 174282226
ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate
CID 59322287

Frequently Asked Questions

What is the IUPAC name of [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate?
The IUPAC name of [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate (CID 175042036) is [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate.
What is the SMILES notation for [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate?
The canonical SMILES for [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate is NC(=O)OCC1(N=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate?
The InChIKey is XVVAZMDBRDERRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-17(21)22-13-18(11-12-18)20-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,19,21).
What are the key properties of [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate?
[1-(benzhydrylideneamino)cyclopropyl]methyl carbamate has a molecular weight of 294.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzhydrylideneamino)cyclopropyl]methyl carbamate is sourced from PubChem (CID 175042036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).