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

C6H12ClN — CID 13078200

IUPAC(1S,4R)-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+;/m1./s1
InChIKeyYHUFGQLJZGRCCX-IBTYICNHSA-N
MW133.62 g/mol
LogP1.18
Rot. Bonds

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

(1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride (PubChem CID 13078200) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is (1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride.

Molecular Properties

Compound Name(1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride
PubChem CID13078200
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name(1S,4R)-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+;/m1./s1
InChIKeyYHUFGQLJZGRCCX-IBTYICNHSA-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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Related Compounds

2-Azabicyclo(2.2.1)heptane
CID 78963
2-Azabicyclo[2.2.1]heptane hydrochloride
CID 20070801
1-Methyl-2-azabicyclo[2.2.1]heptane
CID 66970177
5,5-Difluoro-2-azabicyclo(2.2.1)heptane hydrochloride
CID 84717355
(1R,4S)-2-azabicyclo(2.2.1)heptane hydrochloride
CID 122163564
6,6-Difluoro-2-azabicyclo(2.2.1)heptane hydrochloride
CID 127264201
2-Azabicyclo(3.2.1)octane hydrochloride
CID 139022794
(1R,3S,4S)-3-(trifluoromethyl)-2-azabicyclo(2.2.1)heptane hydrochloride
CID 145867377
4-Methyl-2-azabicyclo(2.2.1)heptane hydrochloride
CID 165891429
1-(Trifluoromethyl)-2-azabicyclo[2.2.1]heptane hydrochloride
CID 165951202
rac-(1R,4R,5R)-5-methyl-2-azabicyclo[2.2.1]heptane hydrochloride
CID 165979404
rac-(1R,4S,5S)-5-(fluoromethyl)-2-azabicyclo[2.2.1]heptane hydrochloride
CID 167721651

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride?
The IUPAC name of (1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride (CID 13078200) is (1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride.
What is the SMILES notation for (1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride?
The canonical SMILES for (1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride is C1C[C@H]2C[C@@H]1CN2.Cl.
What is the InChIKey of (1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride?
The InChIKey is YHUFGQLJZGRCCX-IBTYICNHSA-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+;/m1./s1.
What are the key properties of (1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride?
(1S,4R)-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 (1S,4R)-2-azabicyclo[2.2.1]heptane;hydrochloride is sourced from PubChem (CID 13078200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).