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

C17H33N3 — CID 79945669

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN1CCN2CCCC2C1
InChIInChI=1S/C17H33N3/c1-13-9-14(2)16(17(10-13)18-3)12-19-7-8-20-6-4-5-15(20)11-19/h13-18H,4-12H2,1-3H3
InChIKeyUGQRHHFMCQDSLW-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.04
Rot. Bonds3

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 79945669) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine
PubChem CID79945669
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN1CCN2CCCC2C1
InChIInChI=1S/C17H33N3/c1-13-9-14(2)16(17(10-13)18-3)12-19-7-8-20-6-4-5-15(20)11-19/h13-18H,4-12H2,1-3H3
InChIKeyUGQRHHFMCQDSLW-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-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-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 79938671
N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine
CID 79164305
N,3,5-trimethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 64737195
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 106589038
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 79924586
N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736016
1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol
CID 107408673
2-[(4-cyclopentylpiperazin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64736642
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylmethanamine
CID 116999372
2-(cyclopentylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038048
N-ethyl-2-[(3-methoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967402
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine
CID 79945993

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-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-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine (CID 79945669) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-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-ylmethyl)-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-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1CN1CCN2CCCC2C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is UGQRHHFMCQDSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-13-9-14(2)16(17(10-13)18-3)12-19-7-8-20-6-4-5-15(20)11-19/h13-18H,4-12H2,1-3H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.04, 3 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-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79945669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).