5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine

C16H31N3O2 — CID 54446328

IUPAC5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine
SMILESCCOC1=N[C@H](CCCCCN)C(OCC)=NC1C(C)C
InChIInChI=1S/C16H31N3O2/c1-5-20-15-13(10-8-7-9-11-17)18-16(21-6-2)14(19-15)12(3)4/h12-14H,5-11,17H2,1-4H3/t13-,14?/m1/s1
InChIKeyWRUCDBPDQCTGFI-KWCCSABGSA-N
MW297.44 g/mol
LogP2.78
Rot. Bonds8

About 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine

5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine (PubChem CID 54446328) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine
PubChem CID54446328
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine
SMILESCCOC1=N[C@H](CCCCCN)C(OCC)=NC1C(C)C
InChIInChI=1S/C16H31N3O2/c1-5-20-15-13(10-8-7-9-11-17)18-16(21-6-2)14(19-15)12(3)4/h12-14H,5-11,17H2,1-4H3/t13-,14?/m1/s1
InChIKeyWRUCDBPDQCTGFI-KWCCSABGSA-N
XLogP2.78
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(2S,5S)-3,6-diethoxy-2-ethyl-5-propan-2-yl-2,5-dihydropyrazine
CID 100935179
(2S,5R)-2-benzyl-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazine
CID 67746400
3-[(2S,5S)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]prop-1-ynyl-triethylsilane
CID 15484763
[3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-fluoro-1H-indol-2-yl]-trimethylsilane
CID 100927485
(S)-[(5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-(4-methyl-1,3-thiazol-2-yl)methanol
CID 162763204
[(5S)-6-ethoxy-3-methoxy-5-methyl-2-propan-2-yl-2H-pyrazin-5-yl]methanamine
CID 138747265
1-(3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl)-4-(4-methoxyphenyl)butan-1-one
CID 59739700
6-[6-aminohexyl(diethoxy)silyl]hexan-1-amine
CID 139707876
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
1-(benzenesulfonyl)-3-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-5-methoxyindole
CID 10505908
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
(8S)-nonane-1,8-diamine
CID 87205838

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine?
The IUPAC name of 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine (CID 54446328) is 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine?
The canonical SMILES for 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine is CCOC1=N[C@H](CCCCCN)C(OCC)=NC1C(C)C.
What is the InChIKey of 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine?
The InChIKey is WRUCDBPDQCTGFI-KWCCSABGSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-20-15-13(10-8-7-9-11-17)18-16(21-6-2)14(19-15)12(3)4/h12-14H,5-11,17H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine?
5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]pentan-1-amine is sourced from PubChem (CID 54446328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).