(1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride

C6H12ClN — CID 122163564

IUPAC(1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESC1C[C@@H]2C[C@H]1CN2.Cl
InChIInChI=1S/C6H11N.ClH/c1-2-6-3-5(1)4-7-6;/h5-7H,1-4H2;1H/t5-,6+;/m0./s1
InChIKeyYHUFGQLJZGRCCX-RIHPBJNCSA-N
MW133.62 g/mol
LogP1.18
Rot. Bonds

About (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride

(1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 122163564) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name(1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID122163564
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name(1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride
SMILESC1C[C@@H]2C[C@H]1CN2.Cl
InChIInChI=1S/C6H11N.ClH/c1-2-6-3-5(1)4-7-6;/h5-7H,1-4H2;1H/t5-,6+;/m0./s1
InChIKeyYHUFGQLJZGRCCX-RIHPBJNCSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride (CID 122163564) is (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride is C1C[C@@H]2C[C@H]1CN2.Cl.
What is the InChIKey of (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is YHUFGQLJZGRCCX-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H11N.ClH/c1-2-6-3-5(1)4-7-6;/h5-7H,1-4H2;1H/t5-,6+;/m0./s1.
What are the key properties of (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride?
(1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride has a molecular weight of 133.62 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 122163564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).