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

C15H23N3O — CID 81247460

IUPACN-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1N1CC2CCC(C1)O2
InChIInChI=1S/C15H23N3O/c1-11(2)17-8-12-7-16-6-5-15(12)18-9-13-3-4-14(10-18)19-13/h5-7,11,13-14,17H,3-4,8-10H2,1-2H3
InChIKeyBIQHLIPHVWSKMJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.95
Rot. Bonds4

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

N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81247460) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81247460
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1N1CC2CCC(C1)O2
InChIInChI=1S/C15H23N3O/c1-11(2)17-8-12-7-16-6-5-15(12)18-9-13-3-4-14(10-18)19-13/h5-7,11,13-14,17H,3-4,8-10H2,1-2H3
InChIKeyBIQHLIPHVWSKMJ-UHFFFAOYSA-N
XLogP1.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine (CID 81247460) is N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnccc1N1CC2CCC(C1)O2.
What is the InChIKey of N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is BIQHLIPHVWSKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)17-8-12-7-16-6-5-15(12)18-9-13-3-4-14(10-18)19-13/h5-7,11,13-14,17H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81247460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).