2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol

C13H23N3O — CID 113484591

IUPAC2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cc(NC(C)C(C)CO)ccn1
InChIInChI=1S/C13H23N3O/c1-4-6-14-13-8-12(5-7-15-13)16-11(3)10(2)9-17/h5,7-8,10-11,17H,4,6,9H2,1-3H3,(H2,14,15,16)
InChIKeyTZUBFETUGSMFIZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.33
Rot. Bonds7

About 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol

2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol (PubChem CID 113484591) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
PubChem CID113484591
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
SMILESCCCNc1cc(NC(C)C(C)CO)ccn1
InChIInChI=1S/C13H23N3O/c1-4-6-14-13-8-12(5-7-15-13)16-11(3)10(2)9-17/h5,7-8,10-11,17H,4,6,9H2,1-3H3,(H2,14,15,16)
InChIKeyTZUBFETUGSMFIZ-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

(2S)-3-methyl-2-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol
CID 114982685
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-N-propylpyridine-2,4-diamine
CID 106390258
4-N-(2-methyl-3-methylsulfanylpropyl)-2-N-propylpyridine-2,4-diamine
CID 113367858
1,1-difluoro-3-[[2-(propylamino)-4-pyridinyl]amino]propan-2-ol
CID 114094092
4-N-(7-methyloctyl)-2-N-propylpyridine-2,4-diamine
CID 107818927
4-N-[2-(dimethylamino)-2-methylpropyl]-2-N-propylpyridine-2,4-diamine
CID 113367699
3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 113367923
5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
CID 114152288
2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
CID 114131334
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-2-methylbutan-1-ol
CID 102759896
4-N-(1-methylcyclohexyl)-2-N-propylpyridine-2,4-diamine
CID 113367730
4-N-ethyl-4-N-(2-methylbutyl)-2-N-propylpyridine-2,4-diamine
CID 113367946

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol?
The IUPAC name of 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol (CID 113484591) is 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol.
What is the SMILES notation for 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol?
The canonical SMILES for 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol is CCCNc1cc(NC(C)C(C)CO)ccn1.
What is the InChIKey of 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol?
The InChIKey is TZUBFETUGSMFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-14-13-8-12(5-7-15-13)16-11(3)10(2)9-17/h5,7-8,10-11,17H,4,6,9H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol?
2-methyl-3-[[2-(propylamino)-4-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 2-methyl-3-[[2-(propylamino)-4-pyridinyl]amino]butan-1-ol is sourced from PubChem (CID 113484591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).