3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol

C13H22N2O — CID 65107876

IUPAC3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-4-13(16,5-2)10-15-11(3)12-6-8-14-9-7-12/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeyBUPLHFZUINDLFW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.28
Rot. Bonds6

About 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol

3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol (PubChem CID 65107876) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
PubChem CID65107876
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccncc1
InChIInChI=1S/C13H22N2O/c1-4-13(16,5-2)10-15-11(3)12-6-8-14-9-7-12/h6-9,11,15-16H,4-5,10H2,1-3H3
InChIKeyBUPLHFZUINDLFW-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
CID 65108247
2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
CID 66170728
3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107765
3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
CID 81333592
2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115664278
3-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]pentan-3-ol
CID 106757861
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025

Frequently Asked Questions

What is the IUPAC name of 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol (CID 65107876) is 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1ccncc1.
What is the InChIKey of 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol?
The InChIKey is BUPLHFZUINDLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(16,5-2)10-15-11(3)12-6-8-14-9-7-12/h6-9,11,15-16H,4-5,10H2,1-3H3.
What are the key properties of 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol?
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol has a molecular weight of 222.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65107876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).