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

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

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Related Compounds

2-(Morpholin-4-yl)-2-(pyrid-3-yl)ethylamine
CID 4988991
[3-(Morpholin-4-yl)propyl][(pyridin-4-yl)methyl]amine
CID 3152148
1-(Pyridin-4-yl)-N-((tetrahydrofuran-2-yl)methyl)methanamine
CID 3150972
3-(Pyridin-3-yl)morpholine
CID 3714163
N-(oxolan-2-ylmethyl)pyridin-4-amine
CID 43099472
N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 53566086
N-methyl-N-(oxolan-2-ylmethyl)-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 84585987
(2R,3aS,7aS)-2-methyl-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97392666
N,N-dimethyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118741059
3-(Methoxymethyl)-2-propan-2-yl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 118741111
3-(Methoxymethyl)-2-propan-2-yl-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 118747241
((Oxolan-2-yl)methyl)((pyridin-3-yl)methyl)amine
CID 3156810

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).