[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate

C11H19N3O2 — CID 557688

IUPAC[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate
SMILESCCNC(=O)ON=C1CC2CCC(C1)N2C
InChIInChI=1S/C11H19N3O2/c1-3-12-11(15)16-13-8-6-9-4-5-10(7-8)14(9)2/h9-10H,3-7H2,1-2H3,(H,12,15)
InChIKeyDFPZSQIRNREDJD-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.35
Rot. Bonds2

About [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate

[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate (PubChem CID 557688) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate.

Molecular Properties

Compound Name[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate
PubChem CID557688
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate
SMILESCCNC(=O)ON=C1CC2CCC(C1)N2C
InChIInChI=1S/C11H19N3O2/c1-3-12-11(15)16-13-8-6-9-4-5-10(7-8)14(9)2/h9-10H,3-7H2,1-2H3,(H,12,15)
InChIKeyDFPZSQIRNREDJD-UHFFFAOYSA-N
XLogP1.35
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate
CID 141422068
[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino] 4-chlorobenzoate
CID 6928569
[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino] 4-chlorobenzoate
CID 727068
[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]urea
CID 779400
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine;hydrochloride
CID 2737441
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride
CID 56737749
8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 141422074
[(E)-(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanylidene)amino] N-ethylcarbamate
CID 6224370
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]guanidine
CID 65211894
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)butanoic acid
CID 57374773
N-ethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]benzamide
CID 43728562
(3-methyl-2-oxoimidazolidin-4-yl) N-ethylcarbamate
CID 70454576

Frequently Asked Questions

What is the IUPAC name of [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate?
The IUPAC name of [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate (CID 557688) is [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate.
What is the SMILES notation for [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate?
The canonical SMILES for [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate is CCNC(=O)ON=C1CC2CCC(C1)N2C.
What is the InChIKey of [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate?
The InChIKey is DFPZSQIRNREDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-12-11(15)16-13-8-6-9-4-5-10(7-8)14(9)2/h9-10H,3-7H2,1-2H3,(H,12,15).
What are the key properties of [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate?
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate has a molecular weight of 225.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate is sourced from PubChem (CID 557688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).