N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine

C15H27N5O — CID 107050078

IUPACN-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CN2CCCC2CO1
InChIInChI=1S/C15H27N5O/c1-3-6-16-14(8-12-9-19(2)18-17-12)15-10-20-7-4-5-13(20)11-21-15/h9,13-16H,3-8,10-11H2,1-2H3
InChIKeyUFSAFAICBWRRQB-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.59
Rot. Bonds6

About N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine

N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (PubChem CID 107050078) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
PubChem CID107050078
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cn(C)nn1)C1CN2CCCC2CO1
InChIInChI=1S/C15H27N5O/c1-3-6-16-14(8-12-9-19(2)18-17-12)15-10-20-7-4-5-13(20)11-21-15/h9,13-16H,3-8,10-11H2,1-2H3
InChIKeyUFSAFAICBWRRQB-UHFFFAOYSA-N
XLogP0.59
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-propylbutan-1-amine
CID 79089432
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615
N-[2-(1-methyltriazol-4-yl)-1-(4-propylmorpholin-2-yl)ethyl]propan-1-amine
CID 107050193
N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83182750
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4-dimethyl-N-propylpentan-1-amine
CID 79088329
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79089056
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131121
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(5-bromo-3-methyltriazol-4-yl)methyl]propan-1-amine
CID 106462691
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopropyl)methyl]propan-1-amine
CID 79088426
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 79088876
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine (CID 107050078) is N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cn(C)nn1)C1CN2CCCC2CO1.
What is the InChIKey of N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
The InChIKey is UFSAFAICBWRRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-6-16-14(8-12-9-19(2)18-17-12)15-10-20-7-4-5-13(20)11-21-15/h9,13-16H,3-8,10-11H2,1-2H3.
What are the key properties of N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine?
N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107050078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).