2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H27N3 — CID 115419091

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(N2CCN3CCCC3C2)C(N)c2ccccc21
InChIInChI=1S/C18H27N3/c1-13-11-17(18(19)16-7-3-2-6-15(13)16)21-10-9-20-8-4-5-14(20)12-21/h2-3,6-7,13-14,17-18H,4-5,8-12,19H2,1H3
InChIKeyXIEDEPZBUNAOOK-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.34
Rot. Bonds1

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115419091) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115419091
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CC(N2CCN3CCCC3C2)C(N)c2ccccc21
InChIInChI=1S/C18H27N3/c1-13-11-17(18(19)16-7-3-2-6-15(13)16)21-10-9-20-8-4-5-14(20)12-21/h2-3,6-7,13-14,17-18H,4-5,8-12,19H2,1H3
InChIKeyXIEDEPZBUNAOOK-UHFFFAOYSA-N
XLogP2.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

2-(3-methoxypiperidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102965641
2-(3,4-dimethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419084
4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419081
2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103532529
4-methyl-2-(3-methylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419975
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419012
4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419000
2-(3-methoxypiperidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102966127
2-(2-phenylcyclopropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929782
2-(2-methylcyclohexyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79931642
2-(3-methoxypiperidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 102965518
2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418831

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115419091) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CC(N2CCN3CCCC3C2)C(N)c2ccccc21.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XIEDEPZBUNAOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13-11-17(18(19)16-7-3-2-6-15(13)16)21-10-9-20-8-4-5-14(20)12-21/h2-3,6-7,13-14,17-18H,4-5,8-12,19H2,1H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.44 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115419091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).