3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol

C14H24N2O — CID 103768725

IUPAC3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc(C)cn1
InChIInChI=1S/C14H24N2O/c1-3-4-13(7-8-17)10-15-11-14-6-5-12(2)9-16-14/h5-6,9,13,15,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyWCMLUCBVAGXTLN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.28
Rot. Bonds8

About 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol

3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol (PubChem CID 103768725) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
PubChem CID103768725
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1ccc(C)cn1
InChIInChI=1S/C14H24N2O/c1-3-4-13(7-8-17)10-15-11-14-6-5-12(2)9-16-14/h5-6,9,13,15,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyWCMLUCBVAGXTLN-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 115698947
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]hexan-1-ol
CID 111470620
3-[(5-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 80709131
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid
CID 107816753
3-[(thiophen-3-ylmethylamino)methyl]hexan-1-ol
CID 115660386

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol (CID 103768725) is 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1ccc(C)cn1.
What is the InChIKey of 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol?
The InChIKey is WCMLUCBVAGXTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-13(7-8-17)10-15-11-14-6-5-12(2)9-16-14/h5-6,9,13,15,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol?
3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 103768725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).