6-[(hexan-3-ylamino)methyl]pyridin-3-ol

C12H20N2O — CID 79784062

IUPAC6-[(hexan-3-ylamino)methyl]pyridin-3-ol
SMILESCCCC(CC)NCc1ccc(O)cn1
InChIInChI=1S/C12H20N2O/c1-3-5-10(4-2)13-8-11-6-7-12(15)9-14-11/h6-7,9-10,13,15H,3-5,8H2,1-2H3
InChIKeyBTRPLXWMGQSINZ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.46
Rot. Bonds6

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

6-[(hexan-3-ylamino)methyl]pyridin-3-ol (PubChem CID 79784062) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-[(hexan-3-ylamino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(hexan-3-ylamino)methyl]pyridin-3-ol
PubChem CID79784062
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name6-[(hexan-3-ylamino)methyl]pyridin-3-ol
SMILESCCCC(CC)NCc1ccc(O)cn1
InChIInChI=1S/C12H20N2O/c1-3-5-10(4-2)13-8-11-6-7-12(15)9-14-11/h6-7,9-10,13,15H,3-5,8H2,1-2H3
InChIKeyBTRPLXWMGQSINZ-UHFFFAOYSA-N
XLogP2.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-hydroxybutan-2-ylamino)methyl]pyridin-3-ol
CID 79776129
6-[(3-methylpentan-2-ylamino)methyl]pyridin-3-ol
CID 79781532
6-[(4-methylhexan-2-ylamino)methyl]pyridin-3-ol
CID 79794471
6-[(1-thiophen-2-ylpropylamino)methyl]pyridin-3-ol
CID 79782907
6-[(1-cyclohexylpropylamino)methyl]pyridin-3-ol
CID 79793819
2-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79782389
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
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
4-[(hexan-3-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103248470
6-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]pyridin-3-ol
CID 81405183
6-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]pyridin-3-ol
CID 79781325

Frequently Asked Questions

What is the IUPAC name of 6-[(hexan-3-ylamino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(hexan-3-ylamino)methyl]pyridin-3-ol (CID 79784062) is 6-[(hexan-3-ylamino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(hexan-3-ylamino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(hexan-3-ylamino)methyl]pyridin-3-ol is CCCC(CC)NCc1ccc(O)cn1.
What is the InChIKey of 6-[(hexan-3-ylamino)methyl]pyridin-3-ol?
The InChIKey is BTRPLXWMGQSINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-10(4-2)13-8-11-6-7-12(15)9-14-11/h6-7,9-10,13,15H,3-5,8H2,1-2H3.
What are the key properties of 6-[(hexan-3-ylamino)methyl]pyridin-3-ol?
6-[(hexan-3-ylamino)methyl]pyridin-3-ol has a molecular weight of 208.31 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(hexan-3-ylamino)methyl]pyridin-3-ol is sourced from PubChem (CID 79784062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).