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

C12H20N2O — CID 79781532

IUPAC6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
SMILESCCC(C)C(C)NCc1ccc(O)cn1
InChIInChI=1S/C12H20N2O/c1-4-9(2)10(3)13-7-11-5-6-12(15)8-14-11/h5-6,8-10,13,15H,4,7H2,1-3H3
InChIKeyJXSODDOZKAASGX-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.31
Rot. Bonds5

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

6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol (PubChem CID 79781532) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
PubChem CID79781532
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
SMILESCCC(C)C(C)NCc1ccc(O)cn1
InChIInChI=1S/C12H20N2O/c1-4-9(2)10(3)13-7-11-5-6-12(15)8-14-11/h5-6,8-10,13,15H,4,7H2,1-3H3
InChIKeyJXSODDOZKAASGX-UHFFFAOYSA-N
XLogP2.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol
CID 79794471
6-[(1-hydroxybutan-2-ylamino)methyl]pyridin-3-ol
CID 79776129
6-[(hexan-3-ylamino)methyl]pyridin-3-ol
CID 79784062
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
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-(2-methoxyphenyl)ethyl]amino]methyl]pyridin-3-ol
CID 81396851
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
6-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]pyridin-3-ol
CID 81405183

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol (CID 79781532) is 6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol is CCC(C)C(C)NCc1ccc(O)cn1.
What is the InChIKey of 6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol?
The InChIKey is JXSODDOZKAASGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-9(2)10(3)13-7-11-5-6-12(15)8-14-11/h5-6,8-10,13,15H,4,7H2,1-3H3.
What are the key properties of 6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol?
6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol has a molecular weight of 208.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79781532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).