[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol

C26H34N2O — CID 167960422

IUPAC[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol
SMILESOCC1(CNC2CC3CCC(C2)N3Cc2ccccc2)CC(c2ccccc2)C1
InChIInChI=1S/C26H34N2O/c29-19-26(15-22(16-26)21-9-5-2-6-10-21)18-27-23-13-24-11-12-25(14-23)28(24)17-20-7-3-1-4-8-20/h1-10,22-25,27,29H,11-19H2
InChIKeyIUWIXJKFYGDYMY-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.33
Rot. Bonds7

About [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol

[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol (PubChem CID 167960422) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol
PubChem CID167960422
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol
SMILESOCC1(CNC2CC3CCC(C2)N3Cc2ccccc2)CC(c2ccccc2)C1
InChIInChI=1S/C26H34N2O/c29-19-26(15-22(16-26)21-9-5-2-6-10-21)18-27-23-13-24-11-12-25(14-23)28(24)17-20-7-3-1-4-8-20/h1-10,22-25,27,29H,11-19H2
InChIKeyIUWIXJKFYGDYMY-UHFFFAOYSA-N
XLogP4.33
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol with MolForge

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Related Compounds

8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
8-benzyl-N-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
CID 118993423
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
8-benzyl-N-[(5-methylfuran-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 119128790
9-benzyl-N-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 141367299
2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
CID 82667479
4-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-2,2-dimethylbutanoic acid
CID 122084433
8-benzyl-N-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 119128786
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 20649394
8-benzyl-N-[(3-phenylcyclobutyl)methyl]-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 166183692

Frequently Asked Questions

What is the IUPAC name of [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol?
The IUPAC name of [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol (CID 167960422) is [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol.
What is the SMILES notation for [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol?
The canonical SMILES for [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol is OCC1(CNC2CC3CCC(C2)N3Cc2ccccc2)CC(c2ccccc2)C1.
What is the InChIKey of [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol?
The InChIKey is IUWIXJKFYGDYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c29-19-26(15-22(16-26)21-9-5-2-6-10-21)18-27-23-13-24-11-12-25(14-23)28(24)17-20-7-3-1-4-8-20/h1-10,22-25,27,29H,11-19H2.
What are the key properties of [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol?
[1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol has a molecular weight of 390.57 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)amino]methyl]-3-phenylcyclobutyl]methanol is sourced from PubChem (CID 167960422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).