2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine

C18H29N3 — CID 79916476

IUPAC2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine
SMILESCc1cccc(C(CN)N2CCN3CCCCC3C2)c1C
InChIInChI=1S/C18H29N3/c1-14-6-5-8-17(15(14)2)18(12-19)21-11-10-20-9-4-3-7-16(20)13-21/h5-6,8,16,18H,3-4,7,9-13,19H2,1-2H3
InChIKeyDBXUTAHSEZMAJV-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.47
Rot. Bonds3

About 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine

2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine (PubChem CID 79916476) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine
PubChem CID79916476
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine
SMILESCc1cccc(C(CN)N2CCN3CCCCC3C2)c1C
InChIInChI=1S/C18H29N3/c1-14-6-5-8-17(15(14)2)18(12-19)21-11-10-20-9-4-3-7-16(20)13-21/h5-6,8,16,18H,3-4,7,9-13,19H2,1-2H3
InChIKeyDBXUTAHSEZMAJV-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79940900
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 79941110
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)propan-2-amine
CID 79916945
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 63149837
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(furan-2-yl)ethanamine
CID 79931766
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)butan-2-amine
CID 79928846
2-(3-chloro-2-fluorophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 114487914
2-(2,3-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929866
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524407
2-(1,3-dihydroisoindol-2-yl)-2-(2,3-dimethylphenyl)ethanamine
CID 62206935
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(2,6-difluorophenyl)ethanamine
CID 63150024

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine?
The IUPAC name of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine (CID 79916476) is 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine is Cc1cccc(C(CN)N2CCN3CCCCC3C2)c1C.
What is the InChIKey of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine?
The InChIKey is DBXUTAHSEZMAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14-6-5-8-17(15(14)2)18(12-19)21-11-10-20-9-4-3-7-16(20)13-21/h5-6,8,16,18H,3-4,7,9-13,19H2,1-2H3.
What are the key properties of 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine?
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,3-dimethylphenyl)ethanamine is sourced from PubChem (CID 79916476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).