N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine

C21H26N2 — CID 20696689

IUPACN-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(N(Cc1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H26N2/c1-22-19-12-13-20(22)15-21(14-19)23(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19-21H,12-16H2,1H3
InChIKeyAPOIHTGWBCQWKL-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.32
Rot. Bonds4

About N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine

N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 20696689) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID20696689
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(N(Cc1ccccc1)c1ccccc1)C2
InChIInChI=1S/C21H26N2/c1-22-19-12-13-20(22)15-21(14-19)23(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19-21H,12-16H2,1H3
InChIKeyAPOIHTGWBCQWKL-UHFFFAOYSA-N
XLogP4.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine (CID 20696689) is N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(N(Cc1ccccc1)c1ccccc1)C2.
What is the InChIKey of N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is APOIHTGWBCQWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-22-19-12-13-20(22)15-21(14-19)23(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19-21H,12-16H2,1H3.
What are the key properties of N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine?
N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 306.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 20696689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).