(2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one

C14H27N3O — CID 61162993

IUPAC(2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C14H27N3O/c1-14(2,3)12(15)13(18)17-9-8-16-7-5-4-6-11(16)10-17/h11-12H,4-10,15H2,1-3H3/t11?,12-/m1/s1
InChIKeyPVCIUQKERZEMSF-PIJUOVFKSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds1

About (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one

(2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one (PubChem CID 61162993) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one
PubChem CID61162993
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)[C@H](N)C(=O)N1CCN2CCCCC2C1
InChIInChI=1S/C14H27N3O/c1-14(2,3)12(15)13(18)17-9-8-16-7-5-4-6-11(16)10-17/h11-12H,4-10,15H2,1-3H3/t11?,12-/m1/s1
InChIKeyPVCIUQKERZEMSF-PIJUOVFKSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one (CID 61162993) is (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one is CC(C)(C)[C@H](N)C(=O)N1CCN2CCCCC2C1.
What is the InChIKey of (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one?
The InChIKey is PVCIUQKERZEMSF-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2,3)12(15)13(18)17-9-8-16-7-5-4-6-11(16)10-17/h11-12H,4-10,15H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one?
(2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 61162993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).