[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate

C16H21N3O2 — CID 141422068

IUPAC[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)ON=C2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C16H21N3O2/c1-11-3-5-12(6-4-11)17-16(20)21-18-13-9-14-7-8-15(10-13)19(14)2/h3-6,14-15H,7-10H2,1-2H3,(H,17,20)
InChIKeyPTIDTAFRWVLMLN-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.16
Rot. Bonds2

About [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate

[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate (PubChem CID 141422068) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate.

Molecular Properties

Compound Name[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate
PubChem CID141422068
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate
SMILESCc1ccc(NC(=O)ON=C2CC3CCC(C2)N3C)cc1
InChIInChI=1S/C16H21N3O2/c1-11-3-5-12(6-4-11)17-16(20)21-18-13-9-14-7-8-15(10-13)19(14)2/h3-6,14-15H,7-10H2,1-2H3,(H,17,20)
InChIKeyPTIDTAFRWVLMLN-UHFFFAOYSA-N
XLogP3.16
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.16
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

N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester
CID 819097
4-(dimethylamino)benzaldehyde O-(anilinocarbonyl)oxime
CID 5337721
4-(dimethylamino)benzaldehyde O-{[(4-methylphenyl)amino]carbonyl}oxime
CID 5722523
3-{[4-(4-Tetradecylpiperazin-1-yl)phenyl]methyl}-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135899021
3-{[4-(4-Hexadecylpiperazin-1-yl)phenyl]methyl}-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135899022
3-{[4-(4-Octadecylpiperazin-1-yl)phenyl]methyl}-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135899023
[(9-benzyl-9-azabicyclo[3.3.1]nonan-3-ylidene)amino] N-phenylcarbamate
CID 2822570
(2-(((Anilinocarbonyl)oxy)imino)propyl)benzene
CID 6373095
[(1-methylpiperidin-4-ylidene)amino] N-phenylcarbamate
CID 2823179
(E)-{[4-(Dimethylamino)phenyl]methylidene}amino N-cyclohexylcarbamate
CID 5723616
N-[4-[(3-methyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)methyl]phenyl]acetamide
CID 134792747
1-Methyl-4-[({[(1-methylethylidene)amino]oxy}carbonyl)amino]benzene
CID 4388398

Frequently Asked Questions

What is the IUPAC name of [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate?
The IUPAC name of [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate (CID 141422068) is [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate.
What is the SMILES notation for [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate?
The canonical SMILES for [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate is Cc1ccc(NC(=O)ON=C2CC3CCC(C2)N3C)cc1.
What is the InChIKey of [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate?
The InChIKey is PTIDTAFRWVLMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-3-5-12(6-4-11)17-16(20)21-18-13-9-14-7-8-15(10-13)19(14)2/h3-6,14-15H,7-10H2,1-2H3,(H,17,20).
What are the key properties of [(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate?
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-(4-methylphenyl)carbamate has a molecular weight of 287.36 g/mol, XLogP of 3.16, 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-(4-methylphenyl)carbamate is sourced from PubChem (CID 141422068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).