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

C16H31N3 — CID 79945993

IUPACN-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCCN1CCN2CCCC2C1
InChIInChI=1S/C16H31N3/c1-14-5-2-3-7-16(14)17-8-10-18-11-12-19-9-4-6-15(19)13-18/h14-17H,2-13H2,1H3
InChIKeyQAQZVXKFKANJOM-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds4

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

N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 79945993) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine
PubChem CID79945993
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCCN1CCN2CCCC2C1
InChIInChI=1S/C16H31N3/c1-14-5-2-3-7-16(14)17-8-10-18-11-12-19-9-4-6-15(19)13-18/h14-17H,2-13H2,1H3
InChIKeyQAQZVXKFKANJOM-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 55217011
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylpropan-2-amine
CID 79931860
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
2-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 4711849
2-methyl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 62573622
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]prop-2-yn-1-amine
CID 79935542
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylbutan-1-amine
CID 79943415
N-[2-(2,3-dimethylpiperidin-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 62561600
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethylpropan-1-amine
CID 79931937
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(dicyclopropylmethyl)ethanamine
CID 79917075

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine (CID 79945993) is N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine is CC1CCCCC1NCCN1CCN2CCCC2C1.
What is the InChIKey of N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is QAQZVXKFKANJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14-5-2-3-7-16(14)17-8-10-18-11-12-19-9-4-6-15(19)13-18/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine?
N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 79945993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).