1-quinolin-8-ylbutan-1-amine

C13H16N2 — CID 79016206

IUPAC1-quinolin-8-ylbutan-1-amine
SMILESCCCC(N)c1cccc2cccnc12
InChIInChI=1S/C13H16N2/c1-2-5-12(14)11-8-3-6-10-7-4-9-15-13(10)11/h3-4,6-9,12H,2,5,14H2,1H3
InChIKeyMRVASCOWFDGIHF-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.03
Rot. Bonds3

About 1-quinolin-8-ylbutan-1-amine

1-quinolin-8-ylbutan-1-amine (PubChem CID 79016206) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-quinolin-8-ylbutan-1-amine.

Molecular Properties

Compound Name1-quinolin-8-ylbutan-1-amine
PubChem CID79016206
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-quinolin-8-ylbutan-1-amine
SMILESCCCC(N)c1cccc2cccnc12
InChIInChI=1S/C13H16N2/c1-2-5-12(14)11-8-3-6-10-7-4-9-15-13(10)11/h3-4,6-9,12H,2,5,14H2,1H3
InChIKeyMRVASCOWFDGIHF-UHFFFAOYSA-N
XLogP3.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-quinolin-8-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-quinolin-8-ylhexan-1-amine
CID 105021327
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
1-(2-ethoxy-3-pyridinyl)butan-1-amine
CID 55296374
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine
CID 55262751
1-quinolin-8-yl-2-thiophen-2-ylethanamine
CID 81231172
2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
CID 81227602
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
3-methyl-2-quinolin-8-ylbutan-1-amine
CID 83886423
(1S)-1-(2-quinolin-8-yloxyphenyl)propan-1-amine
CID 103959274

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-8-ylbutan-1-amine?
The IUPAC name of 1-quinolin-8-ylbutan-1-amine (CID 79016206) is 1-quinolin-8-ylbutan-1-amine.
What is the SMILES notation for 1-quinolin-8-ylbutan-1-amine?
The canonical SMILES for 1-quinolin-8-ylbutan-1-amine is CCCC(N)c1cccc2cccnc12.
What is the InChIKey of 1-quinolin-8-ylbutan-1-amine?
The InChIKey is MRVASCOWFDGIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-5-12(14)11-8-3-6-10-7-4-9-15-13(10)11/h3-4,6-9,12H,2,5,14H2,1H3.
What are the key properties of 1-quinolin-8-ylbutan-1-amine?
1-quinolin-8-ylbutan-1-amine has a molecular weight of 200.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-8-ylbutan-1-amine is sourced from PubChem (CID 79016206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).