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

C15H24N4O — CID 79088315

IUPAC4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)C1CN2CCCC2CO1
InChIInChI=1S/C15H24N4O/c1-17-13(7-11-4-5-18-15(16)8-11)14-9-19-6-2-3-12(19)10-20-14/h4-5,8,12-14,17H,2-3,6-7,9-10H2,1H3,(H2,16,18)
InChIKeyFNGZTWBZIHXKPK-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.66
Rot. Bonds4

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

4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine (PubChem CID 79088315) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
PubChem CID79088315
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
SMILESCNC(Cc1ccnc(N)c1)C1CN2CCCC2CO1
InChIInChI=1S/C15H24N4O/c1-17-13(7-11-4-5-18-15(16)8-11)14-9-19-6-2-3-12(19)10-20-14/h4-5,8,12-14,17H,2-3,6-7,9-10H2,1H3,(H2,16,18)
InChIKeyFNGZTWBZIHXKPK-UHFFFAOYSA-N
XLogP0.66
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-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-methyl-2-pyridin-3-ylethanamine
CID 104736553
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-bromophenyl)-N-methylethanamine
CID 79088224
4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 65328852
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105245097
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methylpropan-1-amine
CID 79089229
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 79088688
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857751
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-3-fluorophenyl)ethyl]hydrazine
CID 107895187
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-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105245021
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105245028
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine (CID 79088315) is 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine is CNC(Cc1ccnc(N)c1)C1CN2CCCC2CO1.
What is the InChIKey of 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is FNGZTWBZIHXKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17-13(7-11-4-5-18-15(16)8-11)14-9-19-6-2-3-12(19)10-20-14/h4-5,8,12-14,17H,2-3,6-7,9-10H2,1H3,(H2,16,18).
What are the key properties of 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine?
4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 79088315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).