3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol

C15H19N3O — CID 102846714

IUPAC3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
SMILESOCCCN(c1cnc2ccccc2n1)C1CCC1
InChIInChI=1S/C15H19N3O/c19-10-4-9-18(12-5-3-6-12)15-11-16-13-7-1-2-8-14(13)17-15/h1-2,7-8,11-12,19H,3-6,9-10H2
InChIKeyPFNMAHMGGZUADV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds5

About 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol

3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol (PubChem CID 102846714) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
PubChem CID102846714
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
SMILESOCCCN(c1cnc2ccccc2n1)C1CCC1
InChIInChI=1S/C15H19N3O/c19-10-4-9-18(12-5-3-6-12)15-11-16-13-7-1-2-8-14(13)17-15/h1-2,7-8,11-12,19H,3-6,9-10H2
InChIKeyPFNMAHMGGZUADV-UHFFFAOYSA-N
XLogP2.37
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutyl-[4-(hydroxymethyl)quinolin-2-yl]amino]propan-1-ol
CID 102869247
3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
3-[(6-chloropyrazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102846670
6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
CID 102863594
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinoxalin-2-amine
CID 106641225
2-[cyclobutyl(3-hydroxypropyl)amino]quinoline-3-carbonitrile
CID 102862336
2-[cyclopentyl(2-hydroxyethyl)amino]quinoline-4-carbonitrile
CID 63884675
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
3-[cyclobutyl(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]propan-1-ol
CID 102868709
3-[cyclobutyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]propan-1-ol
CID 102864700

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol (CID 102846714) is 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol is OCCCN(c1cnc2ccccc2n1)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol?
The InChIKey is PFNMAHMGGZUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-10-4-9-18(12-5-3-6-12)15-11-16-13-7-1-2-8-14(13)17-15/h1-2,7-8,11-12,19H,3-6,9-10H2.
What are the key properties of 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol?
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 102846714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).