3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol

C13H23N3O — CID 104535214

IUPAC3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cncc(NC(CO)C(C)C)c1
InChIInChI=1S/C13H23N3O/c1-4-5-15-11-6-12(8-14-7-11)16-13(9-17)10(2)3/h6-8,10,13,15-17H,4-5,9H2,1-3H3
InChIKeyZYIJXWQHLFJXIO-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.33
Rot. Bonds7

About 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol

3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol (PubChem CID 104535214) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
PubChem CID104535214
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cncc(NC(CO)C(C)C)c1
InChIInChI=1S/C13H23N3O/c1-4-5-15-11-6-12(8-14-7-11)16-13(9-17)10(2)3/h6-8,10,13,15-17H,4-5,9H2,1-3H3
InChIKeyZYIJXWQHLFJXIO-UHFFFAOYSA-N
XLogP2.33
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 113424095
3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535704
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976
3-methyl-2-[3-nitro-5-(propylamino)anilino]butan-1-ol
CID 80848348
5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
CID 104532953
(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685
5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104534762
N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535813
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 113423725

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol?
The IUPAC name of 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol (CID 104535214) is 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol is CCCNc1cncc(NC(CO)C(C)C)c1.
What is the InChIKey of 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol?
The InChIKey is ZYIJXWQHLFJXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-5-15-11-6-12(8-14-7-11)16-13(9-17)10(2)3/h6-8,10,13,15-17H,4-5,9H2,1-3H3.
What are the key properties of 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol?
3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 104535214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).