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

C14H20N2 — CID 12832104

IUPAC(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1
InChIInChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t13-,14-/m1/s1
InChIKeyTZWXPIKAEAYGPF-ZIAGYGMSSA-N
MW216.33 g/mol
LogP2.14
Rot. Bonds2

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

(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 12832104) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID12832104
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1
InChIInChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t13-,14-/m1/s1
InChIKeyTZWXPIKAEAYGPF-ZIAGYGMSSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557
(1R,5S)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 138376241
9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine;dihydrochloride
CID 53408523
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233276
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
3-[[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile
CID 67276098

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine (CID 12832104) is (1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine is NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1.
What is the InChIKey of (1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is TZWXPIKAEAYGPF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20N2/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t13-,14-/m1/s1.
What are the key properties of (1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine?
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 216.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 12832104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).