3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol

C13H19BrN2O — CID 102848808

IUPAC3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
SMILESOCCCN(Cc1cncc(Br)c1)C1CCC1
InChIInChI=1S/C13H19BrN2O/c14-12-7-11(8-15-9-12)10-16(5-2-6-17)13-3-1-4-13/h7-9,13,17H,1-6,10H2
InChIKeyDNYMFPBVRITTHG-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.58
Rot. Bonds6

About 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol

3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol (PubChem CID 102848808) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
PubChem CID102848808
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
SMILESOCCCN(Cc1cncc(Br)c1)C1CCC1
InChIInChI=1S/C13H19BrN2O/c14-12-7-11(8-15-9-12)10-16(5-2-6-17)13-3-1-4-13/h7-9,13,17H,1-6,10H2
InChIKeyDNYMFPBVRITTHG-UHFFFAOYSA-N
XLogP2.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol
CID 115586347
N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine
CID 115611852
2-[(5-bromo-3-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113224901
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
2-[[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]methyl]aniline
CID 104798300
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine
CID 102878812
N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102880556
3-[(3-amino-5-methoxyphenyl)methyl-cyclobutylamino]propan-1-ol
CID 102860071
2-[(5-bromo-3-pyridinyl)-cyclopropylamino]ethanol
CID 104531645

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol (CID 102848808) is 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol is OCCCN(Cc1cncc(Br)c1)C1CCC1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol?
The InChIKey is DNYMFPBVRITTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-12-7-11(8-15-9-12)10-16(5-2-6-17)13-3-1-4-13/h7-9,13,17H,1-6,10H2.
What are the key properties of 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol?
3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102848808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).