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

C15H26N4O — CID 103131121

IUPACN-[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
SMILESCCCNC(c1ccn(C)n1)C1CN2CCCC2CO1
InChIInChI=1S/C15H26N4O/c1-3-7-16-15(13-6-9-18(2)17-13)14-10-19-8-4-5-12(19)11-20-14/h6,9,12,14-16H,3-5,7-8,10-11H2,1-2H3
InChIKeyZZDZFRONAVTUQY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.32
Rot. Bonds5

About 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

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 (PubChem CID 103131121) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID103131121
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[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
SMILESCCCNC(c1ccn(C)n1)C1CN2CCCC2CO1
InChIInChI=1S/C15H26N4O/c1-3-7-16-15(13-6-9-18(2)17-13)14-10-19-8-4-5-12(19)11-20-14/h6,9,12,14-16H,3-5,7-8,10-11H2,1-2H3
InChIKeyZZDZFRONAVTUQY-UHFFFAOYSA-N
XLogP1.32
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 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-[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-(4-bromothiophen-3-yl)methyl]propan-1-amine
CID 79602260
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
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
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)-2-methyl-N-propylbutan-1-amine
CID 79446358
N-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2,4-dimethylphenyl)methyl]ethanamine
CID 79095857
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
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 79089425

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCNC(c1ccn(C)n1)C1CN2CCCC2CO1.
What is the InChIKey of 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?
The InChIKey is ZZDZFRONAVTUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-7-16-15(13-6-9-18(2)17-13)14-10-19-8-4-5-12(19)11-20-14/h6,9,12,14-16H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 278.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 103131121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).