8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine

C16H23N3 — CID 43376007

IUPAC8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
SMILESCCC(C)N(CC)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C16H23N3/c1-4-12(3)19(5-2)11-13-8-9-15(17)14-7-6-10-18-16(13)14/h6-10,12H,4-5,11,17H2,1-3H3
InChIKeyVYEAMJCKWBRXEY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.44
Rot. Bonds5

About 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine

8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine (PubChem CID 43376007) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
PubChem CID43376007
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine
SMILESCCC(C)N(CC)Cc1ccc(N)c2cccnc12
InChIInChI=1S/C16H23N3/c1-4-12(3)19(5-2)11-13-8-9-15(17)14-7-6-10-18-16(13)14/h6-10,12H,4-5,11,17H2,1-3H3
InChIKeyVYEAMJCKWBRXEY-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Chloroquine
CID 2719
Quinoline
CID 7047
Proflavine
CID 7099
Ethidium Bromide
CID 14710
6-Methylquinoline
CID 7059
Acridine Orange Base
CID 62344
3,6-Diamino-10-methylacridinium Chloride
CID 6842
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
1,7-Phenanthroline
CID 67473
3-Aminoquinoline
CID 11375
(+-)-Desethylchloroquine
CID 95478

Frequently Asked Questions

What is the IUPAC name of 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine?
The IUPAC name of 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine (CID 43376007) is 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine.
What is the SMILES notation for 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine?
The canonical SMILES for 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine is CCC(C)N(CC)Cc1ccc(N)c2cccnc12.
What is the InChIKey of 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine?
The InChIKey is VYEAMJCKWBRXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-12(3)19(5-2)11-13-8-9-15(17)14-7-6-10-18-16(13)14/h6-10,12H,4-5,11,17H2,1-3H3.
What are the key properties of 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine?
8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine has a molecular weight of 257.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[butan-2-yl(ethyl)amino]methyl]quinolin-5-amine is sourced from PubChem (CID 43376007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).