(1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C21H38N2 — CID 6555286

IUPAC(1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CCC(N2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C21H38N2/c1-2-17-10-12-19(13-11-17)23-16-15-22-14-6-9-20(22)21(23)18-7-4-3-5-8-18/h17-21H,2-16H2,1H3/t17?,19?,20-,21-/m1/s1
InChIKeyDGZHQCBZSBQFIX-CGNZLSCGSA-N
MW318.55 g/mol
LogP4.68
Rot. Bonds3

About (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 6555286) has the molecular formula C21H38N2 and a molecular weight of 318.55 g/mol. Its IUPAC name is (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID6555286
Molecular FormulaC21H38N2
Molecular Weight318.55 g/mol
Exact Mass318.30
IUPAC Name(1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCC1CCC(N2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C21H38N2/c1-2-17-10-12-19(13-11-17)23-16-15-22-14-6-9-20(22)21(23)18-7-4-3-5-8-18/h17-21H,2-16H2,1H3/t17?,19?,20-,21-/m1/s1
InChIKeyDGZHQCBZSBQFIX-CGNZLSCGSA-N
XLogP4.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

1,2-dicyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 10379489
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CID 124757728
(1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 11905941
(1S,8aR)-2-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 51637592
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CID 79939155
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CID 20980731
1-cyclopropyl-3-ethylpiperidine
CID 76560892
3-(2-cyclohexylethyl)-5-ethyl-1-[4-(2-pyrrolidin-1-ylcyclopropyl)cyclohexyl]-2,3,3a,4,5,6,7,7a-octahydroindole
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trans-(1R,2R)-2-(4-ethylazepan-1-yl)cyclopentan-1-ol
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[(3S)-1-(4-ethylcyclohexyl)piperidin-3-yl]methanol
CID 40506920

Frequently Asked Questions

What is the IUPAC name of (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 6555286) is (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCC1CCC(N2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)CC1.
What is the InChIKey of (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is DGZHQCBZSBQFIX-CGNZLSCGSA-N. The full InChI is InChI=1S/C21H38N2/c1-2-17-10-12-19(13-11-17)23-16-15-22-14-6-9-20(22)21(23)18-7-4-3-5-8-18/h17-21H,2-16H2,1H3/t17?,19?,20-,21-/m1/s1.
What are the key properties of (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 318.55 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8aR)-1-cyclohexyl-2-(4-ethylcyclohexyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 6555286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).