2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine

C16H25N3O — CID 66371985

IUPAC2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cc(N2CC3CCC(C2)O3)ccn1
InChIInChI=1S/C16H25N3O/c1-12(2)8-17-9-13-7-14(5-6-18-13)19-10-15-3-4-16(11-19)20-15/h5-7,12,15-17H,3-4,8-11H2,1-2H3
InChIKeyAKKSWWOODJDXID-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.19
Rot. Bonds5

About 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 66371985) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID66371985
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cc(N2CC3CCC(C2)O3)ccn1
InChIInChI=1S/C16H25N3O/c1-12(2)8-17-9-13-7-14(5-6-18-13)19-10-15-3-4-16(11-19)20-15/h5-7,12,15-17H,3-4,8-11H2,1-2H3
InChIKeyAKKSWWOODJDXID-UHFFFAOYSA-N
XLogP2.19
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine (CID 66371985) is 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine is CC(C)CNCc1cc(N2CC3CCC(C2)O3)ccn1.
What is the InChIKey of 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is AKKSWWOODJDXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)8-17-9-13-7-14(5-6-18-13)19-10-15-3-4-16(11-19)20-15/h5-7,12,15-17H,3-4,8-11H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 66371985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).