3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine

C18H29N3 — CID 79919963

IUPAC3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine
SMILESCC1CN2CCCCC2CN1C(CCN)c1ccccc1
InChIInChI=1S/C18H29N3/c1-15-13-20-12-6-5-9-17(20)14-21(15)18(10-11-19)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14,19H2,1H3
InChIKeyUOORNIAKPGDRFT-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.64
Rot. Bonds4

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

3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine (PubChem CID 79919963) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine
PubChem CID79919963
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine
SMILESCC1CN2CCCCC2CN1C(CCN)c1ccccc1
InChIInChI=1S/C18H29N3/c1-15-13-20-12-6-5-9-17(20)14-21(15)18(10-11-19)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14,19H2,1H3
InChIKeyUOORNIAKPGDRFT-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylpropanimidamide
CID 79928343
3-ethyl-2-(1-phenylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918313
3-(2,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62779217
2-(furan-2-yl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79940895
2-(5-bromothiophen-2-yl)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanamine
CID 79930781
3-methyl-2-(1-phenylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938960
3-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79925054
2-(4-bromo-2-fluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79927936
3-methyl-2-(3-phenylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939714
[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924464
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylbutan-1-one
CID 79929841
2-[1-(4-methoxyphenyl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918526

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)-3-phenylpropan-1-amine?
The IUPAC name of 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine (CID 79919963) is 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine is CC1CN2CCCCC2CN1C(CCN)c1ccccc1.
What is the InChIKey of 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine?
The InChIKey is UOORNIAKPGDRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-13-20-12-6-5-9-17(20)14-21(15)18(10-11-19)16-7-3-2-4-8-16/h2-4,7-8,15,17-18H,5-6,9-14,19H2,1H3.
What are the key properties of 3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine?
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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)-3-phenylpropan-1-amine is sourced from PubChem (CID 79919963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).