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

C15H22N2 — CID 70655281

IUPAC3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCC1(N)C2CCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H22N2/c1-15(16)13-7-8-14(15)11-17(10-13)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3
InChIKeySWVXBSPIIYNCCK-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.25
Rot. Bonds2

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

3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine (PubChem CID 70655281) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine.

Molecular Properties

Compound Name3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
PubChem CID70655281
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
SMILESCC1(N)C2CCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C15H22N2/c1-15(16)13-7-8-14(15)11-17(10-13)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3
InChIKeySWVXBSPIIYNCCK-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
N-[(1R,5S)-3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 70655630
1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
CID 11171961
(1S,5S)-9-amino-3-benzyl-3-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 98110083
(3S,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidin-3-amine
CID 124869772
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(3aS,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11831337
(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol
CID 10969498
(3R,5S)-1-benzyl-4-cyclohexyl-3,5-dimethylpiperidin-4-ol
CID 59130980
4-benzyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 15223361

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The IUPAC name of 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine (CID 70655281) is 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine.
What is the SMILES notation for 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The canonical SMILES for 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine is CC1(N)C2CCC1CN(Cc1ccccc1)C2.
What is the InChIKey of 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine?
The InChIKey is SWVXBSPIIYNCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-15(16)13-7-8-14(15)11-17(10-13)9-12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3.
What are the key properties of 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine?
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine has a molecular weight of 230.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine is sourced from PubChem (CID 70655281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).