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

C14H20N2 — CID 68824297

IUPAC(1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESN[C@H]1C[C@@H]2CC[C@](Cc3ccccc3)(C1)N2
InChIInChI=1S/C14H20N2/c15-12-8-13-6-7-14(10-12,16-13)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,15H2/t12-,13-,14-/m0/s1
InChIKeyCEUOUJZIALRCLZ-IHRRRGAJSA-N
MW216.33 g/mol
LogP1.84
Rot. Bonds2

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

(1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 68824297) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID68824297
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESN[C@H]1C[C@@H]2CC[C@](Cc3ccccc3)(C1)N2
InChIInChI=1S/C14H20N2/c15-12-8-13-6-7-14(10-12,16-13)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,15H2/t12-,13-,14-/m0/s1
InChIKeyCEUOUJZIALRCLZ-IHRRRGAJSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine (CID 68824297) is (1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine is N[C@H]1C[C@@H]2CC[C@](Cc3ccccc3)(C1)N2.
What is the InChIKey of (1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CEUOUJZIALRCLZ-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H20N2/c15-12-8-13-6-7-14(10-12,16-13)9-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,15H2/t12-,13-,14-/m0/s1.
What are the key properties of (1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine?
(1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 216.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S)-1-benzyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 68824297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).