3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol

C13H21N3O — CID 102859402

IUPAC3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
SMILESCc1ccc(N)c(N(CCCO)C2CCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-6-7-12(14)13(15-10)16(8-3-9-17)11-4-2-5-11/h6-7,11,17H,2-5,8-9,14H2,1H3
InChIKeyNKYKAPFPCIGEDT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.71
Rot. Bonds5

About 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol

3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol (PubChem CID 102859402) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
PubChem CID102859402
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
SMILESCc1ccc(N)c(N(CCCO)C2CCC2)n1
InChIInChI=1S/C13H21N3O/c1-10-6-7-12(14)13(15-10)16(8-3-9-17)11-4-2-5-11/h6-7,11,17H,2-5,8-9,14H2,1H3
InChIKeyNKYKAPFPCIGEDT-UHFFFAOYSA-N
XLogP1.71
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropyl-6-methyl-2-N-propylpyridine-2,3-diamine
CID 81133120
2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
CID 102862991
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859445
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-3-carbonitrile
CID 102862392
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875553
3-[cyclobutyl-[3-(hydroxymethyl)-2-pyridinyl]amino]propan-1-ol
CID 102869240
3-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclobutylamino]propan-1-ol
CID 102859672
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102865866
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
3-(5-amino-N-cyclobutyl-2-methylanilino)propan-1-ol
CID 102859372
2-[butyl(cyclopropyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916111

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol (CID 102859402) is 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol is Cc1ccc(N)c(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
The InChIKey is NKYKAPFPCIGEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-6-7-12(14)13(15-10)16(8-3-9-17)11-4-2-5-11/h6-7,11,17H,2-5,8-9,14H2,1H3.
What are the key properties of 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol?
3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102859402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).