[4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane

C14H31N3OSi — CID 70318951

IUPAC[4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane
SMILESCC(C)(CC[C@H]1CN2CCNCC2CN1)[Si](C)(C)O
InChIInChI=1S/C14H31N3OSi/c1-14(2,19(3,4)18)6-5-12-11-17-8-7-15-9-13(17)10-16-12/h12-13,15-16,18H,5-11H2,1-4H3/t12-,13?/m0/s1
InChIKeyJCGMZMQLDQXKJC-UEWDXFNNSA-N
MW285.51 g/mol
LogP0.99
Rot. Bonds4

About [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane

[4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane (PubChem CID 70318951) has the molecular formula C14H31N3OSi and a molecular weight of 285.51 g/mol. Its IUPAC name is [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane.

Molecular Properties

Compound Name[4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane
PubChem CID70318951
Molecular FormulaC14H31N3OSi
Molecular Weight285.51 g/mol
Exact Mass285.22
IUPAC Name[4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane
SMILESCC(C)(CC[C@H]1CN2CCNCC2CN1)[Si](C)(C)O
InChIInChI=1S/C14H31N3OSi/c1-14(2,19(3,4)18)6-5-12-11-17-8-7-15-9-13(17)10-16-12/h12-13,15-16,18H,5-11H2,1-4H3/t12-,13?/m0/s1
InChIKeyJCGMZMQLDQXKJC-UEWDXFNNSA-N
XLogP0.99
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.51
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane 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 [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane?
The IUPAC name of [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane (CID 70318951) is [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane.
What is the SMILES notation for [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane?
The canonical SMILES for [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane is CC(C)(CC[C@H]1CN2CCNCC2CN1)[Si](C)(C)O.
What is the InChIKey of [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane?
The InChIKey is JCGMZMQLDQXKJC-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H31N3OSi/c1-14(2,19(3,4)18)6-5-12-11-17-8-7-15-9-13(17)10-16-12/h12-13,15-16,18H,5-11H2,1-4H3/t12-,13?/m0/s1.
What are the key properties of [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane?
[4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane has a molecular weight of 285.51 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3S)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazin-3-yl]-2-methylbutan-2-yl]-hydroxy-dimethylsilane is sourced from PubChem (CID 70318951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).