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

C20H36N2 — CID 11905941

IUPAC(1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC1CCC(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1
InChIInChI=1S/C20H36N2/c1-3-8-17(9-4-1)16-22-15-14-21-13-7-12-19(21)20(22)18-10-5-2-6-11-18/h17-20H,1-16H2/t19-,20+/m1/s1
InChIKeyGBNBYPBMSVRMBX-UXHICEINSA-N
MW304.52 g/mol
LogP4.30
Rot. Bonds3

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

(1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 11905941) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is (1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID11905941
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name(1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC1CCC(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1
InChIInChI=1S/C20H36N2/c1-3-8-17(9-4-1)16-22-15-14-21-13-7-12-19(21)20(22)18-10-5-2-6-11-18/h17-20H,1-16H2/t19-,20+/m1/s1
InChIKeyGBNBYPBMSVRMBX-UXHICEINSA-N
XLogP4.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of (1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 11905941) is (1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C1CCC(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)CC1.
What is the InChIKey of (1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is GBNBYPBMSVRMBX-UXHICEINSA-N. The full InChI is InChI=1S/C20H36N2/c1-3-8-17(9-4-1)16-22-15-14-21-13-7-12-19(21)20(22)18-10-5-2-6-11-18/h17-20H,1-16H2/t19-,20+/m1/s1.
What are the key properties of (1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 304.52 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aR)-1-cyclohexyl-2-(cyclohexylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 11905941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).