2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine

C16H31N3 — CID 79938671

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1N1CCN2CCCC2C1
InChIInChI=1S/C16H31N3/c1-12-9-13(2)16(15(10-12)17-3)19-8-7-18-6-4-5-14(18)11-19/h12-17H,4-11H2,1-3H3
InChIKeyBWVYZFYLSABWNY-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.79
Rot. Bonds2

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 79938671) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine
PubChem CID79938671
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1N1CCN2CCCC2C1
InChIInChI=1S/C16H31N3/c1-12-9-13(2)16(15(10-12)17-3)19-8-7-18-6-4-5-14(18)11-19/h12-17H,4-11H2,1-3H3
InChIKeyBWVYZFYLSABWNY-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine with MolForge

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine
CID 79945669
3,5-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 64752552
N,3,5-trimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 64750975
2-[4-(methoxymethyl)piperidin-1-yl]-N,3,5-trimethylcyclohexan-1-amine
CID 64752559
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 79924586
2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64723017
2-(2-ethylpiperidin-1-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64723403
2-(4-cyclopentylpiperazin-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64751284
2-(2-methylcyclohexyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79931642
N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79619483
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64752735
N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
CID 64750791

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine (CID 79938671) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1N1CCN2CCCC2C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is BWVYZFYLSABWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-12-9-13(2)16(15(10-12)17-3)19-8-7-18-6-4-5-14(18)11-19/h12-17H,4-11H2,1-3H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79938671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).