3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone

C15H27N3O — CID 79937040

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone
SMILESCC1CC(C(=O)N2CCN3CCCC3C2)CCC1N
InChIInChI=1S/C15H27N3O/c1-11-9-12(4-5-14(11)16)15(19)18-8-7-17-6-2-3-13(17)10-18/h11-14H,2-10,16H2,1H3
InChIKeyNRRLRIRTXRGRRC-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.06
Rot. Bonds1

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone (PubChem CID 79937040) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone
PubChem CID79937040
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone
SMILESCC1CC(C(=O)N2CCN3CCCC3C2)CCC1N
InChIInChI=1S/C15H27N3O/c1-11-9-12(4-5-14(11)16)15(19)18-8-7-17-6-2-3-13(17)10-18/h11-14H,2-10,16H2,1H3
InChIKeyNRRLRIRTXRGRRC-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone with MolForge

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Related Compounds

(3-aminocyclopentyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858264
(3-aminocyclobutyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 116999420
(2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 114994976
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl(cyclopropyl)methanone
CID 49224332
(4-amino-3-methylcyclohexyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62783104
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-methylpiperidin-4-yl)methanone
CID 106740019
(3-amino-4-methylcyclohexyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79937039
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
(2-aminocyclohexyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63154703
(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174686

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone (CID 79937040) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone is CC1CC(C(=O)N2CCN3CCCC3C2)CCC1N.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone?
The InChIKey is NRRLRIRTXRGRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-9-12(4-5-14(11)16)15(19)18-8-7-17-6-2-3-13(17)10-18/h11-14H,2-10,16H2,1H3.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone has a molecular weight of 265.40 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone is sourced from PubChem (CID 79937040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).