3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol

C11H19N3O — CID 62016590

IUPAC3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1cnccn1
InChIInChI=1S/C11H19N3O/c1-10(2)14(6-3-7-15)9-11-8-12-4-5-13-11/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyPNMHYHNRRZXPHE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.07
Rot. Bonds6

About 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol

3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol (PubChem CID 62016590) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol
PubChem CID62016590
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol
SMILESCC(C)N(CCCO)Cc1cnccn1
InChIInChI=1S/C11H19N3O/c1-10(2)14(6-3-7-15)9-11-8-12-4-5-13-11/h4-5,8,10,15H,3,6-7,9H2,1-2H3
InChIKeyPNMHYHNRRZXPHE-UHFFFAOYSA-N
XLogP1.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol (CID 62016590) is 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol is CC(C)N(CCCO)Cc1cnccn1.
What is the InChIKey of 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol?
The InChIKey is PNMHYHNRRZXPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2)14(6-3-7-15)9-11-8-12-4-5-13-11/h4-5,8,10,15H,3,6-7,9H2,1-2H3.
What are the key properties of 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol?
3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(pyrazin-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 62016590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).