N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine

C24H27NO — CID 71450477

IUPACN-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
SMILESCN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C24H27NO/c1-24(2)18-10-9-17(21(24)13-18)15-25(3)14-16-8-11-23-20(12-16)19-6-4-5-7-22(19)26-23/h4-9,11-12,18,21H,10,13-15H2,1-3H3/t18-,21-/m0/s1
InChIKeyGKXAJJBHVDWLLF-RXVVDRJESA-N
MW345.49 g/mol
LogP6.01
Rot. Bonds4

About N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine

N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine (PubChem CID 71450477) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
PubChem CID71450477
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC NameN-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
SMILESCN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C24H27NO/c1-24(2)18-10-9-17(21(24)13-18)15-25(3)14-16-8-11-23-20(12-16)19-6-4-5-7-22(19)26-23/h4-9,11-12,18,21H,10,13-15H2,1-3H3/t18-,21-/m0/s1
InChIKeyGKXAJJBHVDWLLF-RXVVDRJESA-N
XLogP6.01
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
The IUPAC name of N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine (CID 71450477) is N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine.
What is the SMILES notation for N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
The canonical SMILES for N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine is CN(CC1=CC[C@H]2C[C@@H]1C2(C)C)Cc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
The InChIKey is GKXAJJBHVDWLLF-RXVVDRJESA-N. The full InChI is InChI=1S/C24H27NO/c1-24(2)18-10-9-17(21(24)13-18)15-25(3)14-16-8-11-23-20(12-16)19-6-4-5-7-22(19)26-23/h4-9,11-12,18,21H,10,13-15H2,1-3H3/t18-,21-/m0/s1.
What are the key properties of N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine has a molecular weight of 345.49 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibenzofuran-2-ylmethyl)-1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine is sourced from PubChem (CID 71450477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).