1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine

C17H25N3 — CID 79936509

IUPAC1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCC1CN2CCCC2CN1C1CCc2cc(N)ccc21
InChIInChI=1S/C17H25N3/c1-12-10-19-8-2-3-15(19)11-20(12)17-7-4-13-9-14(18)5-6-16(13)17/h5-6,9,12,15,17H,2-4,7-8,10-11,18H2,1H3
InChIKeyINTSCFQGINJBMH-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.42
Rot. Bonds1

About 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine

1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 79936509) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID79936509
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCC1CN2CCCC2CN1C1CCc2cc(N)ccc21
InChIInChI=1S/C17H25N3/c1-12-10-19-8-2-3-15(19)11-20(12)17-7-4-13-9-14(18)5-6-16(13)17/h5-6,9,12,15,17H,2-4,7-8,10-11,18H2,1H3
InChIKeyINTSCFQGINJBMH-UHFFFAOYSA-N
XLogP2.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine with MolForge

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Related Compounds

1-(2,5-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741366
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol
CID 82965163
1-[3-(trifluoromethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-5-amine
CID 79741185
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 82751547
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79742082
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103541608
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylpiperazin-2-one
CID 79741089
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
CID 102887555
[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]methanol
CID 79741079
3-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)pyrrolidin-2-yl]propan-1-ol
CID 79741638

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine (CID 79936509) is 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine is CC1CN2CCCC2CN1C1CCc2cc(N)ccc21.
What is the InChIKey of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is INTSCFQGINJBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-10-19-8-2-3-15(19)11-20(12)17-7-4-13-9-14(18)5-6-16(13)17/h5-6,9,12,15,17H,2-4,7-8,10-11,18H2,1H3.
What are the key properties of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine?
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 271.41 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 79936509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).