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

C17H33N3 — CID 79941138

IUPAC[4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(N2CC3CCCN3CC2C)CC1
InChIInChI=1S/C17H33N3/c1-3-15-6-8-17(13-18,9-7-15)20-12-16-5-4-10-19(16)11-14(20)2/h14-16H,3-13,18H2,1-2H3
InChIKeyRMYWNPAYESGUJX-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.45
Rot. Bonds3

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

[4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine (PubChem CID 79941138) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is [4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine
PubChem CID79941138
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name[4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(N2CC3CCCN3CC2C)CC1
InChIInChI=1S/C17H33N3/c1-3-15-6-8-17(13-18,9-7-15)20-12-16-5-4-10-19(16)11-14(20)2/h14-16H,3-13,18H2,1-2H3
InChIKeyRMYWNPAYESGUJX-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopropyl]methanamine
CID 106661319
[1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentyl]methanamine
CID 79941280
[3,5-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine
CID 79941063
[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,1-dioxothian-3-yl]methanamine
CID 79940771
[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine
CID 79931105
[1-(2,4-dimethylpiperidin-1-yl)-4-ethylcycloheptyl]methanamine
CID 65088627
2-[(4-ethylcyclohexyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939317
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propylcyclohexyl]methanamine
CID 79917366
[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylcyclohexyl]methanamine
CID 82746499
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopropyl]methanamine
CID 106661320
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylcyclohexyl]methanamine
CID 79932333
[4-ethyl-1-(2-ethylpiperidin-1-yl)cycloheptyl]methanamine
CID 65088511

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine (CID 79941138) is [4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine is CCC1CCC(CN)(N2CC3CCCN3CC2C)CC1.
What is the InChIKey of [4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine?
The InChIKey is RMYWNPAYESGUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-15-6-8-17(13-18,9-7-15)20-12-16-5-4-10-19(16)11-14(20)2/h14-16H,3-13,18H2,1-2H3.
What are the key properties of [4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine?
[4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 79941138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).