N-tert-butyl-2-quinolin-3-yloxypentan-1-amine

C18H26N2O — CID 107387870

IUPACN-tert-butyl-2-quinolin-3-yloxypentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1cnc2ccccc2c1
InChIInChI=1S/C18H26N2O/c1-5-8-15(13-20-18(2,3)4)21-16-11-14-9-6-7-10-17(14)19-12-16/h6-7,9-12,15,20H,5,8,13H2,1-4H3
InChIKeyBWDOFKXASMUZGS-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.17
Rot. Bonds6

About N-tert-butyl-2-quinolin-3-yloxypentan-1-amine

N-tert-butyl-2-quinolin-3-yloxypentan-1-amine (PubChem CID 107387870) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-tert-butyl-2-quinolin-3-yloxypentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-quinolin-3-yloxypentan-1-amine
PubChem CID107387870
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-tert-butyl-2-quinolin-3-yloxypentan-1-amine
SMILESCCCC(CNC(C)(C)C)Oc1cnc2ccccc2c1
InChIInChI=1S/C18H26N2O/c1-5-8-15(13-20-18(2,3)4)21-16-11-14-9-6-7-10-17(14)19-12-16/h6-7,9-12,15,20H,5,8,13H2,1-4H3
InChIKeyBWDOFKXASMUZGS-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-methyl-2-quinolin-3-yloxybutan-1-amine
CID 107387877
N-(2-quinolin-3-yloxypentyl)cyclopropanamine
CID 107387783
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
N-(2-methylpropyl)-2-quinolin-3-yloxybutan-1-amine
CID 107387767
2-quinolin-3-yloxybutan-1-amine
CID 107386996
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
N-tert-butyl-2-(3,4-dimethylphenoxy)pentan-1-amine
CID 83045946
N-tert-butyl-5-quinolin-3-yloxypentan-1-amine
CID 107387805
N-tert-butyl-2-(3,5-dichlorophenoxy)pentan-1-amine
CID 83044887
N-propan-2-yl-2-quinolin-3-yloxypropan-1-amine
CID 107387828
N-propyl-4-quinolin-3-yloxypentan-1-amine
CID 107387881
methyl 2-quinolin-3-yloxyhexanoate
CID 107386801

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-quinolin-3-yloxypentan-1-amine?
The IUPAC name of N-tert-butyl-2-quinolin-3-yloxypentan-1-amine (CID 107387870) is N-tert-butyl-2-quinolin-3-yloxypentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-quinolin-3-yloxypentan-1-amine?
The canonical SMILES for N-tert-butyl-2-quinolin-3-yloxypentan-1-amine is CCCC(CNC(C)(C)C)Oc1cnc2ccccc2c1.
What is the InChIKey of N-tert-butyl-2-quinolin-3-yloxypentan-1-amine?
The InChIKey is BWDOFKXASMUZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-8-15(13-20-18(2,3)4)21-16-11-14-9-6-7-10-17(14)19-12-16/h6-7,9-12,15,20H,5,8,13H2,1-4H3.
What are the key properties of N-tert-butyl-2-quinolin-3-yloxypentan-1-amine?
N-tert-butyl-2-quinolin-3-yloxypentan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-quinolin-3-yloxypentan-1-amine is sourced from PubChem (CID 107387870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).