(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C15H22N2 — CID 750316

IUPAC(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(NCc1ccccc1)C2
InChIInChI=1S/C15H22N2/c1-17-14-7-8-15(17)10-13(9-14)16-11-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3/t13?,14-,15+
InChIKeyIJBWOPMYRYEKGI-GOOCMWNKSA-N
MW230.36 g/mol
LogP2.40
Rot. Bonds3

About (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 750316) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID750316
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1[C@@H]2CC[C@H]1CC(NCc1ccccc1)C2
InChIInChI=1S/C15H22N2/c1-17-14-7-8-15(17)10-13(9-14)16-11-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3/t13?,14-,15+
InChIKeyIJBWOPMYRYEKGI-GOOCMWNKSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 129374539
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
8-methyl-N-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131751
N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 60873537
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131729
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
tert-butyl (5R)-3-(benzylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 146439320
8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 116789143
N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107093556
benzene;N-benzylcyclohexanamine
CID 142622843
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 750316) is (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1[C@@H]2CC[C@H]1CC(NCc1ccccc1)C2.
What is the InChIKey of (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is IJBWOPMYRYEKGI-GOOCMWNKSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-14-7-8-15(17)10-13(9-14)16-11-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3/t13?,14-,15+.
What are the key properties of (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 230.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 750316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).