6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol

C13H22N2O — CID 79794471

IUPAC6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol
SMILESCCC(C)CC(C)NCc1ccc(O)cn1
InChIInChI=1S/C13H22N2O/c1-4-10(2)7-11(3)14-8-12-5-6-13(16)9-15-12/h5-6,9-11,14,16H,4,7-8H2,1-3H3
InChIKeyXWVHFRRQHBVLCR-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.70
Rot. Bonds6

About 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol

6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol (PubChem CID 79794471) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol
PubChem CID79794471
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol
SMILESCCC(C)CC(C)NCc1ccc(O)cn1
InChIInChI=1S/C13H22N2O/c1-4-10(2)7-11(3)14-8-12-5-6-13(16)9-15-12/h5-6,9-11,14,16H,4,7-8H2,1-3H3
InChIKeyXWVHFRRQHBVLCR-UHFFFAOYSA-N
XLogP2.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 79781532
6-[(1-hydroxybutan-2-ylamino)methyl]pyridin-3-ol
CID 79776129
6-[(hexan-3-ylamino)methyl]pyridin-3-ol
CID 79784062
6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol
CID 79781325
6-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402421
6-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]pyridin-3-ol
CID 81402144
2-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79782389
6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
CID 79782907
6-[(1-cyclohexylpropylamino)methyl]pyridin-3-ol
CID 79793819
6-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]pyridin-3-ol
CID 81405183
6-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
CID 81396851
2-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113384058

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol (CID 79794471) is 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol is CCC(C)CC(C)NCc1ccc(O)cn1.
What is the InChIKey of 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol?
The InChIKey is XWVHFRRQHBVLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-10(2)7-11(3)14-8-12-5-6-13(16)9-15-12/h5-6,9-11,14,16H,4,7-8H2,1-3H3.
What are the key properties of 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol?
6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol has a molecular weight of 222.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79794471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).