3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol

C13H22N2O — CID 111470632

IUPAC3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccncc1
InChIInChI=1S/C13H22N2O/c1-2-3-12(6-9-16)10-15-11-13-4-7-14-8-5-13/h4-5,7-8,12,15-16H,2-3,6,9-11H2,1H3
InChIKeyIKBMTWFZZKYCBJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.97
Rot. Bonds8

About 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol

3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol (PubChem CID 111470632) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
PubChem CID111470632
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccncc1
InChIInChI=1S/C13H22N2O/c1-2-3-12(6-9-16)10-15-11-13-4-7-14-8-5-13/h4-5,7-8,12,15-16H,2-3,6,9-11H2,1H3
InChIKeyIKBMTWFZZKYCBJ-UHFFFAOYSA-N
XLogP1.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386
N-[2-(2-hydroxyethyl)pentyl]-3-pyridin-4-ylpropanamide
CID 103722641
3-[(naphthalen-2-ylmethylamino)methyl]hexan-1-ol
CID 103707936
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 113244969
2-bromo-4-[[2-(2-hydroxyethyl)pentylamino]methyl]phenol
CID 114145275
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
CID 103707888
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
CID 103768725

Frequently Asked Questions

What is the IUPAC name of 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol (CID 111470632) is 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol is CCCC(CCO)CNCc1ccncc1.
What is the InChIKey of 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol?
The InChIKey is IKBMTWFZZKYCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-12(6-9-16)10-15-11-13-4-7-14-8-5-13/h4-5,7-8,12,15-16H,2-3,6,9-11H2,1H3.
What are the key properties of 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol?
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol is sourced from PubChem (CID 111470632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).