2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol

C17H24N2O — CID 62016642

IUPAC2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol
SMILESCCC(CC)N(CCO)Cc1ccc2ccccc2n1
InChIInChI=1S/C17H24N2O/c1-3-16(4-2)19(11-12-20)13-15-10-9-14-7-5-6-8-17(14)18-15/h5-10,16,20H,3-4,11-13H2,1-2H3
InChIKeyLLEXLTUSBDDPPH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.22
Rot. Bonds7

About 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol

2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol (PubChem CID 62016642) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol
PubChem CID62016642
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol
SMILESCCC(CC)N(CCO)Cc1ccc2ccccc2n1
InChIInChI=1S/C17H24N2O/c1-3-16(4-2)19(11-12-20)13-15-10-9-14-7-5-6-8-17(14)18-15/h5-10,16,20H,3-4,11-13H2,1-2H3
InChIKeyLLEXLTUSBDDPPH-UHFFFAOYSA-N
XLogP3.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195
(2S)-2-[bis(quinolin-2-ylmethyl)amino]-4-methylsulfanylbutan-1-ol
CID 101237578
N,N'-diethyl-N,N'-bis(quinolin-2-ylmethyl)ethane-1,2-diamine
CID 101381014
N-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 138692452
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
CID 64773175
1,3-bis[bis(quinolin-2-ylmethyl)amino]propan-2-ol
CID 86080053
2-[pentan-3-yl(thiophen-2-ylmethyl)amino]ethanol
CID 62016059
N-(4-hydroxybutyl)-N-(quinolin-2-ylmethyl)acetamide
CID 57029927
2-[(2,6-dichloro-3-pyridinyl)methyl-pentan-3-ylamino]ethanol
CID 106993642
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906
N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide
CID 177171371

Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol (CID 62016642) is 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol is CCC(CC)N(CCO)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol?
The InChIKey is LLEXLTUSBDDPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-16(4-2)19(11-12-20)13-15-10-9-14-7-5-6-8-17(14)18-15/h5-10,16,20H,3-4,11-13H2,1-2H3.
What are the key properties of 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol?
2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol has a molecular weight of 272.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl(quinolin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 62016642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).