N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid

C20H30N2O2 — CID 174934752

IUPACN-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid
SMILESCCCCCN(C)C(C)(C)C.O=C(O)c1cnc2ccccc2c1
InChIInChI=1S/C10H7NO2.C10H23N/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-6-7-8-9-11(5)10(2,3)4/h1-6H,(H,12,13);6-9H2,1-5H3
InChIKeyKCJAKHPQFFMXIY-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.84
Rot. Bonds5

About N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid

N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid (PubChem CID 174934752) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid.

Molecular Properties

Compound NameN-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid
PubChem CID174934752
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid
SMILESCCCCCN(C)C(C)(C)C.O=C(O)c1cnc2ccccc2c1
InChIInChI=1S/C10H7NO2.C10H23N/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-6-7-8-9-11(5)10(2,3)4/h1-6H,(H,12,13);6-9H2,1-5H3
InChIKeyKCJAKHPQFFMXIY-UHFFFAOYSA-N
XLogP4.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.84
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

1-quinolin-3-yloctan-1-one
CID 114963108
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
butyl quinoline-3-carboxylate
CID 54753708
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
2-hydroxy-2-methyl-1-quinolin-3-ylpropan-1-one
CID 103446227
[3-(dimethylamino)propylamino] quinoline-3-carboxylate
CID 140615069
acridine-3-carboxylic acid;decan-1-amine
CID 161148808
quinoline-3-carboxylate
CID 4608508
2-(dimethylamino)-2-quinolin-3-ylbutanoic acid
CID 118221775
3-[4-[methyl(pentyl)amino]phenyl]-N-quinolin-3-ylpropanamide
CID 66815460
2,2-dimethyl-1-quinolin-3-ylpropane-1-thione
CID 134309815

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid?
The IUPAC name of N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid (CID 174934752) is N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid.
What is the SMILES notation for N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid?
The canonical SMILES for N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid is CCCCCN(C)C(C)(C)C.O=C(O)c1cnc2ccccc2c1.
What is the InChIKey of N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid?
The InChIKey is KCJAKHPQFFMXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C10H23N/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8;1-6-7-8-9-11(5)10(2,3)4/h1-6H,(H,12,13);6-9H2,1-5H3.
What are the key properties of N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid?
N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid has a molecular weight of 330.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methylpentan-1-amine;quinoline-3-carboxylic acid is sourced from PubChem (CID 174934752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).