5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine

C16H25N3O — CID 106660339

IUPAC5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine
SMILESCOc1cnc(C)cc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C16H25N3O/c1-11-6-15(16(20-3)10-17-11)18-9-12-7-13-4-5-14(8-12)19(13)2/h6,10,12-14H,4-5,7-9H2,1-3H3,(H,17,18)
InChIKeyARUMHGDKXZZXCH-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.68
Rot. Bonds4

About 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine

5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine (PubChem CID 106660339) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine
PubChem CID106660339
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine
SMILESCOc1cnc(C)cc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C16H25N3O/c1-11-6-15(16(20-3)10-17-11)18-9-12-7-13-4-5-14(8-12)19(13)2/h6,10,12-14H,4-5,7-9H2,1-3H3,(H,17,18)
InChIKeyARUMHGDKXZZXCH-UHFFFAOYSA-N
XLogP2.68
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine (CID 106660339) is 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine is COc1cnc(C)cc1NCC1CC2CCC(C1)N2C.
What is the InChIKey of 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine?
The InChIKey is ARUMHGDKXZZXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-6-15(16(20-3)10-17-11)18-9-12-7-13-4-5-14(8-12)19(13)2/h6,10,12-14H,4-5,7-9H2,1-3H3,(H,17,18).
What are the key properties of 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine?
5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 106660339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).