5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine

C14H22N4O — CID 103056156

IUPAC5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN2CCOC3CCCCC32)cn1
InChIInChI=1S/C14H22N4O/c1-15-14-9-16-11(8-17-14)10-18-6-7-19-13-5-3-2-4-12(13)18/h8-9,12-13H,2-7,10H2,1H3,(H,15,17)
InChIKeyHSRFVACPDCMYHA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.66
Rot. Bonds3

About 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine

5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine (PubChem CID 103056156) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine
PubChem CID103056156
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine
SMILESCNc1cnc(CN2CCOC3CCCCC32)cn1
InChIInChI=1S/C14H22N4O/c1-15-14-9-16-11(8-17-14)10-18-6-7-19-13-5-3-2-4-12(13)18/h8-9,12-13H,2-7,10H2,1H3,(H,15,17)
InChIKeyHSRFVACPDCMYHA-UHFFFAOYSA-N
XLogP1.66
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine with MolForge

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Related Compounds

5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 103056944
1-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106906421
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine
CID 79244022
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-amine
CID 79772048
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
(4aS,8aR)-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94436032
N-[[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106906203
2-[[5-(methylamino)pyrazin-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103056819
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056527
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79245125
6-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidine-3-carboxamide
CID 103055846
(4aS,8aS)-4-[(3-methylquinoxalin-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94414210

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine (CID 103056156) is 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine is CNc1cnc(CN2CCOC3CCCCC32)cn1.
What is the InChIKey of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine?
The InChIKey is HSRFVACPDCMYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-15-14-9-16-11(8-17-14)10-18-6-7-19-13-5-3-2-4-12(13)18/h8-9,12-13H,2-7,10H2,1H3,(H,15,17).
What are the key properties of 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine?
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 103056156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).