(2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride

C9H20Cl2N2 — CID 122669519

IUPAC(2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride
SMILESC[C@@H](N)CN1CC2CCCC21.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-7(10)5-11-6-8-3-2-4-9(8)11;;/h7-9H,2-6,10H2,1H3;2*1H/t7-,8?,9?;;/m1../s1
InChIKeyIKPKERGJVCDCSC-PGBYRUPHSA-N
MW227.18 g/mol
LogP1.66
Rot. Bonds2

About (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride

(2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride (PubChem CID 122669519) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride.

Molecular Properties

Compound Name(2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride
PubChem CID122669519
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name(2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride
SMILESC[C@@H](N)CN1CC2CCCC21.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-7(10)5-11-6-8-3-2-4-9(8)11;;/h7-9H,2-6,10H2,1H3;2*1H/t7-,8?,9?;;/m1../s1
InChIKeyIKPKERGJVCDCSC-PGBYRUPHSA-N
XLogP1.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane
CID 130685379
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
1-(2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl)propan-2-amine
CID 131201727
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]propan-2-amine;hydrochloride
CID 131160056
9-propyl-9-azabicyclo[6.2.0]decane
CID 126990839
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpentan-2-amine
CID 102726819
1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 116680176
(2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride
CID 130762788
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-3-methylbutan-1-amine
CID 65320352
2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one
CID 130734923

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride?
The IUPAC name of (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride (CID 122669519) is (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride.
What is the SMILES notation for (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride?
The canonical SMILES for (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride is C[C@@H](N)CN1CC2CCCC21.Cl.Cl.
What is the InChIKey of (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride?
The InChIKey is IKPKERGJVCDCSC-PGBYRUPHSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-7(10)5-11-6-8-3-2-4-9(8)11;;/h7-9H,2-6,10H2,1H3;2*1H/t7-,8?,9?;;/m1../s1.
What are the key properties of (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride?
(2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride is sourced from PubChem (CID 122669519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).