3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine

C17H24N2 — CID 81023267

IUPAC3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine
SMILESCCCNCCC(C)(C)c1cnc2ccccc2c1
InChIInChI=1S/C17H24N2/c1-4-10-18-11-9-17(2,3)15-12-14-7-5-6-8-16(14)19-13-15/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKeyJZJLNLLRFNNPHF-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.90
Rot. Bonds6

About 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine

3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine (PubChem CID 81023267) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine
PubChem CID81023267
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine
SMILESCCCNCCC(C)(C)c1cnc2ccccc2c1
InChIInChI=1S/C17H24N2/c1-4-10-18-11-9-17(2,3)15-12-14-7-5-6-8-16(14)19-13-15/h5-8,12-13,18H,4,9-11H2,1-3H3
InChIKeyJZJLNLLRFNNPHF-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylsulfanyl-2-methylbutan-2-yl)quinoline
CID 167157255
4-methyl-4-quinolin-3-ylpentan-2-amine
CID 64718063
N-propyl-6-quinolin-3-yloxyhexan-1-amine
CID 107387874
3-(2-methyl-1-piperazin-1-ylpropan-2-yl)quinoline
CID 116985177
N-propyl-4-quinolin-3-ylpent-3-en-1-amine
CID 79598852
6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline
CID 131975391
N-propyl-4-quinolin-3-yloxypentan-1-amine
CID 107387881
3-(3,5-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023408
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
1-cyclopropyl-1-quinolin-3-ylpropan-1-ol
CID 64918922
3,3-difluoro-3-phenyl-N-propylpropan-1-amine
CID 116790434
N-propyl-2-quinolin-3-ylpyridin-4-amine
CID 102824586

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine (CID 81023267) is 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine is CCCNCCC(C)(C)c1cnc2ccccc2c1.
What is the InChIKey of 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine?
The InChIKey is JZJLNLLRFNNPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-10-18-11-9-17(2,3)15-12-14-7-5-6-8-16(14)19-13-15/h5-8,12-13,18H,4,9-11H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine?
3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-3-quinolin-3-ylbutan-1-amine is sourced from PubChem (CID 81023267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).