tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate

C13H25N3O2 — CID 82380727

IUPACtert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2CCCC(N)C2C1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-8-7-15-6-4-5-10(14)11(15)9-16/h10-11H,4-9,14H2,1-3H3
InChIKeyLVGSPKYNLNPQJI-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.03
Rot. Bonds

About tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate

tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate (PubChem CID 82380727) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
PubChem CID82380727
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Nametert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN2CCCC(N)C2C1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-8-7-15-6-4-5-10(14)11(15)9-16/h10-11H,4-9,14H2,1-3H3
InChIKeyLVGSPKYNLNPQJI-UHFFFAOYSA-N
XLogP1.03
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(1R,2R)-2-aminocyclopentyl]piperazine-1-carboxylate
CID 129462828
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate
CID 63788851
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
tert-butyl 3-[(1S,2R)-2-aminocyclopropyl]piperidine-1-carboxylate
CID 165489343
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
tert-butyl 4-(2-hydroxycyclopentyl)piperazine-1-carboxylate
CID 82123805
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 4-(2-hydroxycyclohexyl)-1,4-diazepane-1-carboxylate
CID 115772291
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
zinc tert-butyl (3S)-3-methanidylpiperidine-1-carboxylate
CID 152945495

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate (CID 82380727) is tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate is CC(C)(C)OC(=O)N1CCN2CCCC(N)C2C1.
What is the InChIKey of tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate?
The InChIKey is LVGSPKYNLNPQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-8-7-15-6-4-5-10(14)11(15)9-16/h10-11H,4-9,14H2,1-3H3.
What are the key properties of tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate?
tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-amino-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 82380727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).