3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol

C13H23N3O — CID 103783040

IUPAC3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1cnccn1
InChIInChI=1S/C13H23N3O/c1-4-11(5-2)13(17)9-16-10(3)12-8-14-6-7-15-12/h6-8,10-11,13,16-17H,4-5,9H2,1-3H3
InChIKeyROOIMHZQRQZETB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.92
Rot. Bonds7

About 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol

3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol (PubChem CID 103783040) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol
PubChem CID103783040
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1cnccn1
InChIInChI=1S/C13H23N3O/c1-4-11(5-2)13(17)9-16-10(3)12-8-14-6-7-15-12/h6-8,10-11,13,16-17H,4-5,9H2,1-3H3
InChIKeyROOIMHZQRQZETB-UHFFFAOYSA-N
XLogP1.92
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-difluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 103787955
1-(1-pyrazin-2-ylethylamino)pentan-2-ol
CID 115719323
1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 115712106
(2S)-3-ethyl-1-(pyrazin-2-ylamino)pentan-2-ol
CID 129377877
(2R)-2-(1-pyrazin-2-ylethylamino)butan-1-ol
CID 103922625
1-[(1-pyrazin-2-ylethylamino)methyl]cyclobutan-1-ol
CID 115718531
5-methyl-N-(1-pyrazin-2-ylethyl)hexan-1-amine
CID 81338055
4,4-dimethyl-1-[(1-pyrazin-2-ylethylamino)methyl]cyclohexan-1-ol
CID 65115500
4,4-dimethyl-N-(1-pyrazin-2-ylethyl)pentan-1-amine
CID 115891455
(1S)-2-(methylamino)-1-pyrazin-2-ylethanol
CID 96734230
ethyl 4-(1-pyrazin-2-ylethylamino)butanoate
CID 64580462
N-[(5-ethylthiophen-2-yl)methyl]-1-pyrazin-2-ylethanamine
CID 113260200

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol (CID 103783040) is 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol is CCC(CC)C(O)CNC(C)c1cnccn1.
What is the InChIKey of 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol?
The InChIKey is ROOIMHZQRQZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-11(5-2)13(17)9-16-10(3)12-8-14-6-7-15-12/h6-8,10-11,13,16-17H,4-5,9H2,1-3H3.
What are the key properties of 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol?
3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-pyrazin-2-ylethylamino)pentan-2-ol is sourced from PubChem (CID 103783040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).