[1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine

C15H29N3 — CID 81170715

IUPAC[1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine
SMILESNCC1(CCN2CCN3CCCCC3C2)CCC1
InChIInChI=1S/C15H29N3/c16-13-15(5-3-6-15)7-9-17-10-11-18-8-2-1-4-14(18)12-17/h14H,1-13,16H2
InChIKeyVJLOHPXNKPYCFN-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.68
Rot. Bonds4

About [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine

[1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine (PubChem CID 81170715) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine
PubChem CID81170715
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name[1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine
SMILESNCC1(CCN2CCN3CCCCC3C2)CCC1
InChIInChI=1S/C15H29N3/c16-13-15(5-3-6-15)7-9-17-10-11-18-8-2-1-4-14(18)12-17/h14H,1-13,16H2
InChIKeyVJLOHPXNKPYCFN-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine
CID 104678907
2-[(1-ethylcyclopentyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 114124886
[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine
CID 81171364
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)
CID 23593660
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)cyclopropyl]methanamine
CID 115453849
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)oxetan-3-yl]methanamine
CID 116999400
[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclohexyl]methanamine
CID 104678921
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
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethylpropan-1-amine
CID 79931937

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine (CID 81170715) is [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine is NCC1(CCN2CCN3CCCCC3C2)CCC1.
What is the InChIKey of [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine?
The InChIKey is VJLOHPXNKPYCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c16-13-15(5-3-6-15)7-9-17-10-11-18-8-2-1-4-14(18)12-17/h14H,1-13,16H2.
What are the key properties of [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine?
[1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine has a molecular weight of 251.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 81170715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).