N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine

C13H19N3O — CID 113371050

IUPACN-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCCOc1cccnc1NC1C2CNCC21
InChIInChI=1S/C13H19N3O/c1-2-6-17-11-4-3-5-15-13(11)16-12-9-7-14-8-10(9)12/h3-5,9-10,12,14H,2,6-8H2,1H3,(H,15,16)
InChIKeyLNVKEXLIYPIQIE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.50
Rot. Bonds5

About N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine

N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 113371050) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID113371050
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCCCOc1cccnc1NC1C2CNCC21
InChIInChI=1S/C13H19N3O/c1-2-6-17-11-4-3-5-15-13(11)16-12-9-7-14-8-10(9)12/h3-5,9-10,12,14H,2,6-8H2,1H3,(H,15,16)
InChIKeyLNVKEXLIYPIQIE-UHFFFAOYSA-N
XLogP1.50
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-4-methoxypyrrolidin-3-yl]-3-propoxypyridin-2-amine
CID 113371049
5-[(3-propoxy-2-pyridinyl)amino]piperidin-2-one
CID 113370927
(1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 130719347
N-(2-bicyclo[2.2.1]heptanyl)-3-propoxypyridin-2-amine
CID 113370946
N-(morpholin-2-ylmethyl)-3-propoxypyridin-2-amine
CID 113371141
1-methyl-3-[(3-propoxy-2-pyridinyl)amino]pyrrolidin-2-one
CID 106258259
N-[(2-aminocyclopentyl)methyl]-3-propoxypyridin-2-amine
CID 113371376
N-(3-ethylpentan-2-yl)-3-propoxypyridin-2-amine
CID 113370934
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
N-[(4-ethylphenyl)methyl]-3-propoxypyridin-2-amine
CID 106900046
2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
CID 106142911
N-(6-ethoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 63589000

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 113371050) is N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine is CCCOc1cccnc1NC1C2CNCC21.
What is the InChIKey of N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is LNVKEXLIYPIQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-6-17-11-4-3-5-15-13(11)16-12-9-7-14-8-10(9)12/h3-5,9-10,12,14H,2,6-8H2,1H3,(H,15,16).
What are the key properties of N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 233.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxy-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 113371050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).