4-methyl-1-(pyridin-4-ylamino)pentan-2-ol

C11H18N2O — CID 107153295

IUPAC4-methyl-1-(pyridin-4-ylamino)pentan-2-ol
SMILESCC(C)CC(O)CNc1ccncc1
InChIInChI=1S/C11H18N2O/c1-9(2)7-11(14)8-13-10-3-5-12-6-4-10/h3-6,9,11,14H,7-8H2,1-2H3,(H,12,13)
InChIKeyWJKZLOQIEBETCA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.90
Rot. Bonds5

About 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol

4-methyl-1-(pyridin-4-ylamino)pentan-2-ol (PubChem CID 107153295) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(pyridin-4-ylamino)pentan-2-ol
PubChem CID107153295
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methyl-1-(pyridin-4-ylamino)pentan-2-ol
SMILESCC(C)CC(O)CNc1ccncc1
InChIInChI=1S/C11H18N2O/c1-9(2)7-11(14)8-13-10-3-5-12-6-4-10/h3-6,9,11,14H,7-8H2,1-2H3,(H,12,13)
InChIKeyWJKZLOQIEBETCA-UHFFFAOYSA-N
XLogP1.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
CID 103702829
N-(2-methylbutyl)pyridin-4-amine
CID 62693960
2-methyl-3-(pyridin-4-ylamino)propanoic acid
CID 46848736
5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
CID 103736448
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145
1-[(5-aminoisoquinolin-6-yl)amino]-4-methylpentan-2-ol
CID 107151139
4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol
CID 107153331
1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151118
1-chloro-3-[4-(2-pyridin-4-ylethyl)anilino]propan-2-ol
CID 168638130
1-[(6-bromo-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107154989
1-[(6-hydrazinyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107159891

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol (CID 107153295) is 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol is CC(C)CC(O)CNc1ccncc1.
What is the InChIKey of 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol?
The InChIKey is WJKZLOQIEBETCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(2)7-11(14)8-13-10-3-5-12-6-4-10/h3-6,9,11,14H,7-8H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol?
4-methyl-1-(pyridin-4-ylamino)pentan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyridin-4-ylamino)pentan-2-ol is sourced from PubChem (CID 107153295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).