5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline

C14H14N2 — CID 129390404

IUPAC5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline
SMILESc1cc([C@]23CNC[C@@H]2C3)c2cccnc2c1
InChIInChI=1S/C14H14N2/c1-4-12(14-7-10(14)8-15-9-14)11-3-2-6-16-13(11)5-1/h1-6,10,15H,7-9H2/t10-,14+/m0/s1
InChIKeyDSRNRFDUYZGFKM-IINYFYTJSA-N
MW210.28 g/mol
LogP2.10
Rot. Bonds1

About 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline

5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline (PubChem CID 129390404) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline.

Molecular Properties

Compound Name5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline
PubChem CID129390404
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline
SMILESc1cc([C@]23CNC[C@@H]2C3)c2cccnc2c1
InChIInChI=1S/C14H14N2/c1-4-12(14-7-10(14)8-15-9-14)11-3-2-6-16-13(11)5-1/h1-6,10,15H,7-9H2/t10-,14+/m0/s1
InChIKeyDSRNRFDUYZGFKM-IINYFYTJSA-N
XLogP2.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane
CID 140721328
5-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)quinoline
CID 112564674
1-(1-ethoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 140721327
3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
CID 81216239
2-(3-azabicyclo[3.1.0]hexan-1-yl)naphthalene-1-carbaldehyde
CID 135285014
8-methyl-3-quinolin-5-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955990
2,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
CID 81216527
5-(2-methylpyrrolidin-2-yl)quinoline
CID 81231992
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
3-ethyl-1-quinolin-5-ylcyclopentan-1-ol
CID 81216281
1-quinolin-5-yl-2,3-dihydroinden-1-ol
CID 81196770
5-(piperidin-3-ylmethyl)quinoline
CID 73439136

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline?
The IUPAC name of 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline (CID 129390404) is 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline.
What is the SMILES notation for 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline?
The canonical SMILES for 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline is c1cc([C@]23CNC[C@@H]2C3)c2cccnc2c1.
What is the InChIKey of 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline?
The InChIKey is DSRNRFDUYZGFKM-IINYFYTJSA-N. The full InChI is InChI=1S/C14H14N2/c1-4-12(14-7-10(14)8-15-9-14)11-3-2-6-16-13(11)5-1/h1-6,10,15H,7-9H2/t10-,14+/m0/s1.
What are the key properties of 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline?
5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline has a molecular weight of 210.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]quinoline is sourced from PubChem (CID 129390404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).