(1S,5R)-2-azabicyclo[3.2.1]octane

C7H13N — CID 98594438

IUPAC(1S,5R)-2-azabicyclo[3.2.1]octane
SMILESC1C[C@H]2CC[C@@H](C2)N1
InChIInChI=1S/C7H13N/c1-2-7-5-6(1)3-4-8-7/h6-8H,1-5H2/t6-,7+/m1/s1
InChIKeyASUQYWCXZRNVRW-RQJHMYQMSA-N
MW111.19 g/mol
LogP1.15
Rot. Bonds

About (1S,5R)-2-azabicyclo[3.2.1]octane

(1S,5R)-2-azabicyclo[3.2.1]octane (PubChem CID 98594438) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1S,5R)-2-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-2-azabicyclo[3.2.1]octane
PubChem CID98594438
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1S,5R)-2-azabicyclo[3.2.1]octane
SMILESC1C[C@H]2CC[C@@H](C2)N1
InChIInChI=1S/C7H13N/c1-2-7-5-6(1)3-4-8-7/h6-8H,1-5H2/t6-,7+/m1/s1
InChIKeyASUQYWCXZRNVRW-RQJHMYQMSA-N
XLogP1.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Azabicyclo(3.2.1)octane
CID 12313490
2-Azabicyclo(3.2.1)octane
CID 12471321
3-Azabicyclo[3.2.1]octane hydrochloride
CID 22923661
2-Azabicyclo(3.2.1)octane hydrochloride
CID 139022794
rac-(1R,5S)-3-azabicyclo[3.2.1]octane
CID 51899493
6-Fluoro-2-azabicyclo[3.2.1]octane
CID 105427438
7-(Fluoromethyl)-2-azabicyclo[4.1.0]heptane
CID 105427451
6,6-Difluoro-2-azabicyclo[3.2.1]octane
CID 105429018
3-Azabicyclo[3.2.1]octan-8-amine
CID 18540942
3-Azabicyclo[3.2.1]octan-1-amine
CID 18540976
3-Azoniabicyclo[3.2.1]octane
CID 19799079
2-Ethyl-3-azabicyclo[3.2.1]octane
CID 20522176

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-2-azabicyclo[3.2.1]octane (CID 98594438) is (1S,5R)-2-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-2-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-2-azabicyclo[3.2.1]octane is C1C[C@H]2CC[C@@H](C2)N1.
What is the InChIKey of (1S,5R)-2-azabicyclo[3.2.1]octane?
The InChIKey is ASUQYWCXZRNVRW-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13N/c1-2-7-5-6(1)3-4-8-7/h6-8H,1-5H2/t6-,7+/m1/s1.
What are the key properties of (1S,5R)-2-azabicyclo[3.2.1]octane?
(1S,5R)-2-azabicyclo[3.2.1]octane has a molecular weight of 111.19 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2-azabicyclo[3.2.1]octane is sourced from PubChem (CID 98594438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).