2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C16H30N2 — CID 79944940

IUPAC2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1CN2CCCC2CN1C1CCCCC1(C)C
InChIInChI=1S/C16H30N2/c1-13-11-17-10-6-7-14(17)12-18(13)15-8-4-5-9-16(15,2)3/h13-15H,4-12H2,1-3H3
InChIKeyMYRWWMGUSPJFQQ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.12
Rot. Bonds1

About 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79944940) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79944940
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1CN2CCCC2CN1C1CCCCC1(C)C
InChIInChI=1S/C16H30N2/c1-13-11-17-10-6-7-14(17)12-18(13)15-8-4-5-9-16(15,2)3/h13-15H,4-12H2,1-3H3
InChIKeyMYRWWMGUSPJFQQ-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylcyclopentyl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944735
2-(2,2-dimethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929028
N,2,2-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79937858
2-(2,2-dimethylcyclopentyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944588
3-methyl-2-(2-methylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939100
(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
CID 155003765
3-methyl-2-(1-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926405
1-(2,2-dimethylcyclohexyl)piperidin-3-amine
CID 79847602
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclobutan-1-amine
CID 80561807
3-methyl-2-(3-methylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926371
4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79924855
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 115824897

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79944940) is 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC1CN2CCCC2CN1C1CCCCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is MYRWWMGUSPJFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13-11-17-10-6-7-14(17)12-18(13)15-8-4-5-9-16(15,2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 250.43 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclohexyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79944940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).