3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine

C17H35N3 — CID 79924588

IUPAC3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCN2CCCCC2C1
InChIInChI=1S/C17H35N3/c1-16(2,3)18-13-17(4,5)14-19-10-11-20-9-7-6-8-15(20)12-19/h15,18H,6-14H2,1-5H3
InChIKeyVEUPMUDSOQQCOV-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds4

About 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine (PubChem CID 79924588) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
PubChem CID79924588
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCN2CCCCC2C1
InChIInChI=1S/C17H35N3/c1-16(2,3)18-13-17(4,5)14-19-10-11-20-9-7-6-8-15(20)12-19/h15,18H,6-14H2,1-5H3
InChIKeyVEUPMUDSOQQCOV-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine with MolForge

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Related Compounds

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79945391
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylpropan-2-amine
CID 79931860
N-tert-butyl-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62263552
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylpropan-2-amine
CID 79942935
2-(2-ethoxy-2-methylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114944355
2-amino-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylpropanamide
CID 79935160
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butylhexan-1-amine
CID 79945206
3-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylpropan-1-amine
CID 62369809
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799
(2S)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 103935255
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,3-trimethylbutan-2-amine
CID 79945527

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine (CID 79924588) is 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine is CC(C)(CNC(C)(C)C)CN1CCN2CCCCC2C1.
What is the InChIKey of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
The InChIKey is VEUPMUDSOQQCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2,3)18-13-17(4,5)14-19-10-11-20-9-7-6-8-15(20)12-19/h15,18H,6-14H2,1-5H3.
What are the key properties of 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79924588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).