2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide

C14H18N2O — CID 86809326

IUPAC2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESCNC(=O)C12CC(CN1Cc1ccccc1)C2
InChIInChI=1S/C14H18N2O/c1-15-13(17)14-7-12(8-14)10-16(14)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyWDNHHFJWFBKJJJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.40
Rot. Bonds3

About 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide

2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide (PubChem CID 86809326) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
PubChem CID86809326
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide
SMILESCNC(=O)C12CC(CN1Cc1ccccc1)C2
InChIInChI=1S/C14H18N2O/c1-15-13(17)14-7-12(8-14)10-16(14)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyWDNHHFJWFBKJJJ-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-methyl-2-azabicyclo[2.1.1]hexane
CID 11389846
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 162648771
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2-(3,4-dichlorophenyl)acetamide
CID 162663440
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-chloro-2-methylbenzamide
CID 162671305
(2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine
CID 11087372
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 162648103
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-benzyl-2,2-dimethylpyrrolidine-3,4-dicarboxylic acid
CID 66936378
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
(E)-N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-(2-fluorophenyl)prop-2-enamide
CID 162657572
ethyl (7S)-5-benzyl-2-oxa-5-azaspiro[3.4]octane-7-carboxylate
CID 129410416
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The IUPAC name of 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide (CID 86809326) is 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The canonical SMILES for 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide is CNC(=O)C12CC(CN1Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
The InChIKey is WDNHHFJWFBKJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-15-13(17)14-7-12(8-14)10-16(14)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17).
What are the key properties of 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide?
2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-2-azabicyclo[2.1.1]hexane-1-carboxamide is sourced from PubChem (CID 86809326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).