2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide

C21H24N2O — CID 175955311

IUPAC2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide
SMILESNC1CC2CC1(C(=O)N(Cc1ccccc1)Cc1ccccc1)C2
InChIInChI=1S/C21H24N2O/c22-19-11-18-12-21(19,13-18)20(24)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15,22H2
InChIKeyKKZURKGCFFUMBS-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.34
Rot. Bonds5

About 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide

2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide (PubChem CID 175955311) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide
PubChem CID175955311
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide
SMILESNC1CC2CC1(C(=O)N(Cc1ccccc1)Cc1ccccc1)C2
InChIInChI=1S/C21H24N2O/c22-19-11-18-12-21(19,13-18)20(24)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15,22H2
InChIKeyKKZURKGCFFUMBS-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide?
The IUPAC name of 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide (CID 175955311) is 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide.
What is the SMILES notation for 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide?
The canonical SMILES for 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide is NC1CC2CC1(C(=O)N(Cc1ccccc1)Cc1ccccc1)C2.
What is the InChIKey of 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide?
The InChIKey is KKZURKGCFFUMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c22-19-11-18-12-21(19,13-18)20(24)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17/h1-10,18-19H,11-15,22H2.
What are the key properties of 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide?
2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dibenzylbicyclo[2.1.1]hexane-1-carboxamide is sourced from PubChem (CID 175955311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).