N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine

C18H35N3 — CID 79920833

IUPACN-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN1CC2CCCCN2CC1C
InChIInChI=1S/C18H35N3/c1-3-19-18-9-6-7-16(18)10-12-20-14-17-8-4-5-11-21(17)13-15(20)2/h15-19H,3-14H2,1-2H3
InChIKeyNERZQCRGSSRAMS-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.71
Rot. Bonds5

About N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine

N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine (PubChem CID 79920833) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine
PubChem CID79920833
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN1CC2CCCCN2CC1C
InChIInChI=1S/C18H35N3/c1-3-19-18-9-6-7-16(18)10-12-20-14-17-8-4-5-11-21(17)13-15(20)2/h15-19H,3-14H2,1-2H3
InChIKeyNERZQCRGSSRAMS-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-amine
CID 79946088
N-ethyl-4-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]oxolan-3-amine
CID 79934970
N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine
CID 79930957
2-[2-(2,4-dimethylpiperidin-1-yl)ethyl]-N-ethylcyclopentan-1-amine
CID 79566114
3-methyl-2-[(2-methylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 107420844
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentanamine
CID 79944036
2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopentan-1-ol
CID 79924521
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclohexanamine
CID 79047120
2-methyl-N-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]propan-2-amine
CID 79935975
2-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916068
N-[6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexyl]cyclopropanamine
CID 79918072
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclopentanamine
CID 79945215

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine (CID 79920833) is N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine is CCNC1CCCC1CCN1CC2CCCCN2CC1C.
What is the InChIKey of N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine?
The InChIKey is NERZQCRGSSRAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-3-19-18-9-6-7-16(18)10-12-20-14-17-8-4-5-11-21(17)13-15(20)2/h15-19H,3-14H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine?
N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79920833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).