3-(1-pyridin-3-ylbutylamino)butan-1-ol

C13H22N2O — CID 104582590

IUPAC3-(1-pyridin-3-ylbutylamino)butan-1-ol
SMILESCCCC(NC(C)CCO)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-5-13(15-11(2)7-9-16)12-6-4-8-14-10-12/h4,6,8,10-11,13,15-16H,3,5,7,9H2,1-2H3
InChIKeyNAFABKLZHGIABF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.28
Rot. Bonds7

About 3-(1-pyridin-3-ylbutylamino)butan-1-ol

3-(1-pyridin-3-ylbutylamino)butan-1-ol (PubChem CID 104582590) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(1-pyridin-3-ylbutylamino)butan-1-ol.

Molecular Properties

Compound Name3-(1-pyridin-3-ylbutylamino)butan-1-ol
PubChem CID104582590
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(1-pyridin-3-ylbutylamino)butan-1-ol
SMILESCCCC(NC(C)CCO)c1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-5-13(15-11(2)7-9-16)12-6-4-8-14-10-12/h4,6,8,10-11,13,15-16H,3,5,7,9H2,1-2H3
InChIKeyNAFABKLZHGIABF-UHFFFAOYSA-N
XLogP2.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324
N-(2-methylpropyl)-1-pyridin-3-ylbutan-1-amine
CID 104581333
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
3-pyridin-3-ylbutan-1-ol
CID 23506282
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404441
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
2-methyl-1-pyridin-3-ylpentan-1-amine
CID 115799302
N,3-dimethyl-2-pyridin-3-ylhexan-1-amine
CID 107887227
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-3-ylbutylamino)butan-1-ol?
The IUPAC name of 3-(1-pyridin-3-ylbutylamino)butan-1-ol (CID 104582590) is 3-(1-pyridin-3-ylbutylamino)butan-1-ol.
What is the SMILES notation for 3-(1-pyridin-3-ylbutylamino)butan-1-ol?
The canonical SMILES for 3-(1-pyridin-3-ylbutylamino)butan-1-ol is CCCC(NC(C)CCO)c1cccnc1.
What is the InChIKey of 3-(1-pyridin-3-ylbutylamino)butan-1-ol?
The InChIKey is NAFABKLZHGIABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-5-13(15-11(2)7-9-16)12-6-4-8-14-10-12/h4,6,8,10-11,13,15-16H,3,5,7,9H2,1-2H3.
What are the key properties of 3-(1-pyridin-3-ylbutylamino)butan-1-ol?
3-(1-pyridin-3-ylbutylamino)butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-3-ylbutylamino)butan-1-ol is sourced from PubChem (CID 104582590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).