3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C15H28N2O — CID 114264828

IUPAC3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESC=CCOC(C)CN1CC2CCCCN2CC1C
InChIInChI=1S/C15H28N2O/c1-4-9-18-14(3)11-17-12-15-7-5-6-8-16(15)10-13(17)2/h4,13-15H,1,5-12H2,2-3H3
InChIKeyIAIAWQMHMICCBL-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.14
Rot. Bonds5

About 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 114264828) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID114264828
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESC=CCOC(C)CN1CC2CCCCN2CC1C
InChIInChI=1S/C15H28N2O/c1-4-9-18-14(3)11-17-12-15-7-5-6-8-16(15)10-13(17)2/h4,13-15H,1,5-12H2,2-3H3
InChIKeyIAIAWQMHMICCBL-UHFFFAOYSA-N
XLogP2.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-1-amine
CID 113440631
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79924849
N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-en-1-amine
CID 79935553
3-methyl-2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147463
3,3-dimethyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-amine
CID 79945732
propan-2-yl 2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetate
CID 78992574
3,3,3-trifluoro-2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]propan-1-amine
CID 103366403
1-cyclopropyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79938013
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propane-1,2-diol
CID 115773027
2-(ethylamino)-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-ol
CID 79924571
2-but-2-ynyl-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115647776
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 114264828) is 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is C=CCOC(C)CN1CC2CCCCN2CC1C.
What is the InChIKey of 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is IAIAWQMHMICCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-9-18-14(3)11-17-12-15-7-5-6-8-16(15)10-13(17)2/h4,13-15H,1,5-12H2,2-3H3.
What are the key properties of 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 252.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 114264828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).