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

C16H31N3 — CID 79930957

IUPACN-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine
SMILESCCNC1CCCC1N1CC2CCCCN2CC1C
InChIInChI=1S/C16H31N3/c1-3-17-15-8-6-9-16(15)19-12-14-7-4-5-10-18(14)11-13(19)2/h13-17H,3-12H2,1-2H3
InChIKeyDFEMTOMZPBGGFY-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds3

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

N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine (PubChem CID 79930957) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine
PubChem CID79930957
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine
SMILESCCNC1CCCC1N1CC2CCCCN2CC1C
InChIInChI=1S/C16H31N3/c1-3-17-15-8-6-9-16(15)19-12-14-7-4-5-10-18(14)11-13(19)2/h13-17H,3-12H2,1-2H3
InChIKeyDFEMTOMZPBGGFY-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79930958
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 102734859
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
2-(2,4-dimethylpiperazin-1-yl)-N-ethylcyclohexan-1-amine
CID 114086633
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 115824897
N-ethyl-2-(2-methylpyrrolidin-1-yl)cyclododecan-1-amine
CID 63469025
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
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79931664
4-ethyl-N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79920835
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
3-methyl-2-(2-methylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939100

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine?
The IUPAC name of 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) is N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine is CCNC1CCCC1N1CC2CCCCN2CC1C.
What is the InChIKey of N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine?
The InChIKey is DFEMTOMZPBGGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-17-15-8-6-9-16(15)19-12-14-7-4-5-10-18(14)11-13(19)2/h13-17H,3-12H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine?
N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 79930957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).