3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol

C13H21N3O — CID 102870514

IUPAC3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
SMILESNc1ncccc1CN(CCCO)C1CCC1
InChIInChI=1S/C13H21N3O/c14-13-11(4-2-7-15-13)10-16(8-3-9-17)12-5-1-6-12/h2,4,7,12,17H,1,3,5-6,8-10H2,(H2,14,15)
InChIKeyXEYVWSHBUDKUAL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.40
Rot. Bonds6

About 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol

3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol (PubChem CID 102870514) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
PubChem CID102870514
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
SMILESNc1ncccc1CN(CCCO)C1CCC1
InChIInChI=1S/C13H21N3O/c14-13-11(4-2-7-15-13)10-16(8-3-9-17)12-5-1-6-12/h2,4,7,12,17H,1,3,5-6,8-10H2,(H2,14,15)
InChIKeyXEYVWSHBUDKUAL-UHFFFAOYSA-N
XLogP1.40
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol
CID 102859911
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102862932
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893452
2-[cyclopentyl(quinolin-8-ylmethyl)amino]ethanol
CID 60912446
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 62895827
3-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115730
3-[[methyl-(4-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62465216

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol (CID 102870514) is 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol is Nc1ncccc1CN(CCCO)C1CCC1.
What is the InChIKey of 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol?
The InChIKey is XEYVWSHBUDKUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-13-11(4-2-7-15-13)10-16(8-3-9-17)12-5-1-6-12/h2,4,7,12,17H,1,3,5-6,8-10H2,(H2,14,15).
What are the key properties of 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol?
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102870514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).