N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine

C16H25N3O — CID 66371401

IUPACN-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1N1CC2CCC(C1)O2
InChIInChI=1S/C16H25N3O/c1-4-17-8-15-11(2)7-12(3)18-16(15)19-9-13-5-6-14(10-19)20-13/h7,13-14,17H,4-6,8-10H2,1-3H3
InChIKeyMUJOBWVNIUGJTE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.18
Rot. Bonds4

About N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine

N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 66371401) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID66371401
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1N1CC2CCC(C1)O2
InChIInChI=1S/C16H25N3O/c1-4-17-8-15-11(2)7-12(3)18-16(15)19-9-13-5-6-14(10-19)20-13/h7,13-14,17H,4-6,8-10H2,1-3H3
InChIKeyMUJOBWVNIUGJTE-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine (CID 66371401) is N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1c(C)cc(C)nc1N1CC2CCC(C1)O2.
What is the InChIKey of N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is MUJOBWVNIUGJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-17-8-15-11(2)7-12(3)18-16(15)19-9-13-5-6-14(10-19)20-13/h7,13-14,17H,4-6,8-10H2,1-3H3.
What are the key properties of N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 275.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 66371401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).