N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine

C17H27N3O — CID 62288156

IUPACN-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C17H27N3O/c1-2-10-18-13-14-6-5-9-17(19-14)20-11-12-21-16-8-4-3-7-15(16)20/h5-6,9,15-16,18H,2-4,7-8,10-13H2,1H3
InChIKeyMPNNYUVQUHWAMD-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.73
Rot. Bonds5

About N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62288156) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID62288156
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(N2CCOC3CCCCC32)n1
InChIInChI=1S/C17H27N3O/c1-2-10-18-13-14-6-5-9-17(19-14)20-11-12-21-16-8-4-3-7-15(16)20/h5-6,9,15-16,18H,2-4,7-8,10-13H2,1H3
InChIKeyMPNNYUVQUHWAMD-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyridin-2-amine
CID 80812470
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62289596
4-[6-(chloromethyl)-2-pyridinyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62255717
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 82752844
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine
CID 55054747
N-[[6-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62972131
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80791554
N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106906203
1-[6-(2-cyclopentylpyrrolidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62294232
N-[[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389418
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812642
N-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62284708

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine (CID 62288156) is N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(N2CCOC3CCCCC32)n1.
What is the InChIKey of N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is MPNNYUVQUHWAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-10-18-13-14-6-5-9-17(19-14)20-11-12-21-16-8-4-3-7-15(16)20/h5-6,9,15-16,18H,2-4,7-8,10-13H2,1H3.
What are the key properties of N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62288156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).