N-tert-butyl-5-quinolin-3-yloxypentan-1-amine

C18H26N2O — CID 107387805

IUPACN-tert-butyl-5-quinolin-3-yloxypentan-1-amine
SMILESCC(C)(C)NCCCCCOc1cnc2ccccc2c1
InChIInChI=1S/C18H26N2O/c1-18(2,3)20-11-7-4-8-12-21-16-13-15-9-5-6-10-17(15)19-14-16/h5-6,9-10,13-14,20H,4,7-8,11-12H2,1-3H3
InChIKeySJLCDJDONMPCFJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.17
Rot. Bonds7

About N-tert-butyl-5-quinolin-3-yloxypentan-1-amine

N-tert-butyl-5-quinolin-3-yloxypentan-1-amine (PubChem CID 107387805) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-tert-butyl-5-quinolin-3-yloxypentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-quinolin-3-yloxypentan-1-amine
PubChem CID107387805
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-tert-butyl-5-quinolin-3-yloxypentan-1-amine
SMILESCC(C)(C)NCCCCCOc1cnc2ccccc2c1
InChIInChI=1S/C18H26N2O/c1-18(2,3)20-11-7-4-8-12-21-16-13-15-9-5-6-10-17(15)19-14-16/h5-6,9-10,13-14,20H,4,7-8,11-12H2,1-3H3
InChIKeySJLCDJDONMPCFJ-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387823
N-propyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387874
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
2-methoxy-N-(2-quinolin-3-yloxyethyl)ethanamine
CID 97034151
N-tert-butyl-3-methyl-2-quinolin-3-yloxybutan-1-amine
CID 107387877
2-quinolin-3-yloxyethanol
CID 102847036
2-quinolin-3-yloxyethanamine
CID 84661473
N-tert-butyl-4-quinolin-3-ylbut-3-en-1-amine
CID 79592558
6-quinolin-3-yloxyhexane-1-sulfonamide
CID 107388061
N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
CID 55073143
3-(3,3,3-trifluoropropoxy)quinoline
CID 102846999
3-(3-ethylsulfanylpropoxy)quinoline
CID 102847017

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-quinolin-3-yloxypentan-1-amine?
The IUPAC name of N-tert-butyl-5-quinolin-3-yloxypentan-1-amine (CID 107387805) is N-tert-butyl-5-quinolin-3-yloxypentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-quinolin-3-yloxypentan-1-amine?
The canonical SMILES for N-tert-butyl-5-quinolin-3-yloxypentan-1-amine is CC(C)(C)NCCCCCOc1cnc2ccccc2c1.
What is the InChIKey of N-tert-butyl-5-quinolin-3-yloxypentan-1-amine?
The InChIKey is SJLCDJDONMPCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2,3)20-11-7-4-8-12-21-16-13-15-9-5-6-10-17(15)19-14-16/h5-6,9-10,13-14,20H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-tert-butyl-5-quinolin-3-yloxypentan-1-amine?
N-tert-butyl-5-quinolin-3-yloxypentan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-quinolin-3-yloxypentan-1-amine is sourced from PubChem (CID 107387805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).