3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol

C17H22N2O — CID 102848366

IUPAC3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
SMILESOCCCN(Cc1cccc2cccnc12)C1CCC1
InChIInChI=1S/C17H22N2O/c20-12-4-11-19(16-8-2-9-16)13-15-6-1-5-14-7-3-10-18-17(14)15/h1,3,5-7,10,16,20H,2,4,8-9,11-13H2
InChIKeySAAFFUUKDSJAGQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.97
Rot. Bonds6

About 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol

3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol (PubChem CID 102848366) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
PubChem CID102848366
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
SMILESOCCCN(Cc1cccc2cccnc12)C1CCC1
InChIInChI=1S/C17H22N2O/c20-12-4-11-19(16-8-2-9-16)13-15-6-1-5-14-7-3-10-18-17(14)15/h1,3,5-7,10,16,20H,2,4,8-9,11-13H2
InChIKeySAAFFUUKDSJAGQ-UHFFFAOYSA-N
XLogP2.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(quinolin-8-ylmethyl)amino]ethanol
CID 60912446
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514
3-[(5-aminoquinolin-8-yl)methyl-cyclobutylamino]propan-1-ol
CID 102859911
2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol
CID 102677075
3-[cyclopropyl(quinolin-8-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 76911837
3-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]propan-1-ol
CID 102870493
N-[(2-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)cyclopropanamine
CID 55503066
4-[(5-chloroquinolin-8-yl)methyl-cyclopropylamino]butan-1-ol
CID 111431912
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
3-[cyclobutyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-1-ol
CID 102848805
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol (CID 102848366) is 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol is OCCCN(Cc1cccc2cccnc12)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol?
The InChIKey is SAAFFUUKDSJAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-12-4-11-19(16-8-2-9-16)13-15-6-1-5-14-7-3-10-18-17(14)15/h1,3,5-7,10,16,20H,2,4,8-9,11-13H2.
What are the key properties of 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol?
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 102848366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).