2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol

C15H31N3O — CID 79924573

IUPAC2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol
SMILESCNC(C)(CO)CCN1CC2CCCCN2CC1C
InChIInChI=1S/C15H31N3O/c1-13-10-18-8-5-4-6-14(18)11-17(13)9-7-15(2,12-19)16-3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyQLOWPJQVEJCTCR-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds5

About 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol

2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol (PubChem CID 79924573) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol
PubChem CID79924573
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol
SMILESCNC(C)(CO)CCN1CC2CCCCN2CC1C
InChIInChI=1S/C15H31N3O/c1-13-10-18-8-5-4-6-14(18)11-17(13)9-7-15(2,12-19)16-3/h13-14,16,19H,4-12H2,1-3H3
InChIKeyQLOWPJQVEJCTCR-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(cyclopropylamino)-2-methyl-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
CID 79917003
2-methyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propan-2-amine
CID 79935975
N,4,4-trimethyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-3-amine
CID 79925267
2-(ethylamino)-2-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
CID 79937063
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235
2-methyl-2-(methylamino)-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanamide
CID 79935496
2-methyl-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(methylamino)pentanamide
CID 79945366
N,2-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 79943400
2-amino-2-methyl-5-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentanamide
CID 79934992
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65322460
2,2,2-trifluoro-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]ethanamine
CID 79935382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol (CID 79924573) is 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol is CNC(C)(CO)CCN1CC2CCCCN2CC1C.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol?
The InChIKey is QLOWPJQVEJCTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13-10-18-8-5-4-6-14(18)11-17(13)9-7-15(2,12-19)16-3/h13-14,16,19H,4-12H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol?
2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-ol is sourced from PubChem (CID 79924573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).