(9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine

C16H31N3 — CID 124876193

IUPAC(9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
SMILESCN1C[C@@H]2CN(C3CCCCC3)CCN2C(C)(C)C1
InChIInChI=1S/C16H31N3/c1-16(2)13-17(3)11-15-12-18(9-10-19(15)16)14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15-/m1/s1
InChIKeyMBIZTNAYXGLTLO-OAHLLOKOSA-N
MW265.44 g/mol
LogP2.03
Rot. Bonds1

About (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine

(9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine (PubChem CID 124876193) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
PubChem CID124876193
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name(9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine
SMILESCN1C[C@@H]2CN(C3CCCCC3)CCN2C(C)(C)C1
InChIInChI=1S/C16H31N3/c1-16(2)13-17(3)11-15-12-18(9-10-19(15)16)14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15-/m1/s1
InChIKeyMBIZTNAYXGLTLO-OAHLLOKOSA-N
XLogP2.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine with MolForge

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Related Compounds

(4-chlorophenyl)-(8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)methanone
CID 162980604
(9aS)-N-benzyl-8-cyclohexyl-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 124877794
[(4S,9aR)-2-benzyl-8-cyclohexyl-4-methyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-4-yl]methanol
CID 124877955
1-azabicyclo[9.1.0]dodecane
CID 87228787
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
[(9aS)-4,4-dimethyl-2-methylsulfonyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-cyclopentylmethanone
CID 124874082
1-cyclohexyl-3-methylpyrrolidine
CID 13402657
1-cyclohexylazetidine;2-methylpropane
CID 178017193
2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
CID 158552360
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879
(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124990516
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268

Frequently Asked Questions

What is the IUPAC name of (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine?
The IUPAC name of (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine (CID 124876193) is (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine.
What is the SMILES notation for (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine?
The canonical SMILES for (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine is CN1C[C@@H]2CN(C3CCCCC3)CCN2C(C)(C)C1.
What is the InChIKey of (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine?
The InChIKey is MBIZTNAYXGLTLO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(2)13-17(3)11-15-12-18(9-10-19(15)16)14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine?
(9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine has a molecular weight of 265.44 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-2-cyclohexyl-6,6,8-trimethyl-1,3,4,7,9,9a-hexahydropyrazino[1,2-a]pyrazine is sourced from PubChem (CID 124876193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).