N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C17H27N3O — CID 82886634

IUPACN-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1cc(OC)cc(C)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H27N3O/c1-4-20(16-8-13-5-6-14(9-16)19-13)11-15-10-17(21-3)7-12(2)18-15/h7,10,13-14,16,19H,4-6,8-9,11H2,1-3H3
InChIKeyCYHVZCHWHFFEMO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 82886634) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID82886634
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1cc(OC)cc(C)n1)C1CC2CCC(C1)N2
InChIInChI=1S/C17H27N3O/c1-4-20(16-8-13-5-6-14(9-16)19-13)11-15-10-17(21-3)7-12(2)18-15/h7,10,13-14,16,19H,4-6,8-9,11H2,1-3H3
InChIKeyCYHVZCHWHFFEMO-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 82886634) is N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is CCN(Cc1cc(OC)cc(C)n1)C1CC2CCC(C1)N2.
What is the InChIKey of N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CYHVZCHWHFFEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(16-8-13-5-6-14(9-16)19-13)11-15-10-17(21-3)7-12(2)18-15/h7,10,13-14,16,19H,4-6,8-9,11H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 289.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 82886634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).