N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H27N3O — CID 63985516

IUPACN-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cccc(OC)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H27N3O/c1-3-9-20(12-15-5-4-6-17(19-15)21-2)16-10-13-7-8-14(11-16)18-13/h4-6,13-14,16,18H,3,7-12H2,1-2H3
InChIKeyCDXGZTVEINGCNP-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds6

About N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 63985516) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID63985516
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(Cc1cccc(OC)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H27N3O/c1-3-9-20(12-15-5-4-6-17(19-15)21-2)16-10-13-7-8-14(11-16)18-13/h4-6,13-14,16,18H,3,7-12H2,1-2H3
InChIKeyCDXGZTVEINGCNP-UHFFFAOYSA-N
XLogP2.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 63985516) is N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(Cc1cccc(OC)n1)C1CC2CCC(C1)N2.
What is the InChIKey of N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CDXGZTVEINGCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-9-20(12-15-5-4-6-17(19-15)21-2)16-10-13-7-8-14(11-16)18-13/h4-6,13-14,16,18H,3,7-12H2,1-2H3.
What are the key properties of N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 289.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 63985516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).