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

C15H31N3O — CID 79924849

IUPAC3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN1CC2CCCCN2CC1C
InChIInChI=1S/C15H31N3O/c1-12(2)16-14(11-19)9-18-10-15-6-4-5-7-17(15)8-13(18)3/h12-16,19H,4-11H2,1-3H3
InChIKeyHPMRZGVKAJKVQO-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.90
Rot. Bonds5

About 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

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 (PubChem CID 79924849) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID79924849
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)CN1CC2CCCCN2CC1C
InChIInChI=1S/C15H31N3O/c1-12(2)16-14(11-19)9-18-10-15-6-4-5-7-17(15)8-13(18)3/h12-16,19H,4-11H2,1-3H3
InChIKeyHPMRZGVKAJKVQO-UHFFFAOYSA-N
XLogP0.90
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79936540
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
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propane-1,2-diol
CID 115773027
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
2-methyl-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 79925008
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylpentan-2-amine
CID 79938912
3-methyl-2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147463
3-methyl-2-(2-prop-2-enoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114264828
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
methyl 2-bromo-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanoate
CID 81100436
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(CO)CN1CC2CCCCN2CC1C.
What is the InChIKey of 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?
The InChIKey is HPMRZGVKAJKVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)16-14(11-19)9-18-10-15-6-4-5-7-17(15)8-13(18)3/h12-16,19H,4-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 269.43 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 79924849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).