N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine

C18H23BrN2 — CID 102860146

IUPACN-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine
SMILESCc1cc(CN(CCCBr)C2CCC2)c2ccccc2n1
InChIInChI=1S/C18H23BrN2/c1-14-12-15(17-8-2-3-9-18(17)20-14)13-21(11-5-10-19)16-6-4-7-16/h2-3,8-9,12,16H,4-7,10-11,13H2,1H3
InChIKeyWSQUIQXQRRJFEY-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.68
Rot. Bonds6

About N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine

N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine (PubChem CID 102860146) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine
PubChem CID102860146
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine
SMILESCc1cc(CN(CCCBr)C2CCC2)c2ccccc2n1
InChIInChI=1S/C18H23BrN2/c1-14-12-15(17-8-2-3-9-18(17)20-14)13-21(11-5-10-19)16-6-4-7-16/h2-3,8-9,12,16H,4-7,10-11,13H2,1H3
InChIKeyWSQUIQXQRRJFEY-UHFFFAOYSA-N
XLogP4.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine 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

Acridine Orange Base
CID 62344
2-Methylquinoline
CID 7060
4-Methylquinoline
CID 10285
2,6-Dimethylquinoline
CID 13414
3-Methylquinoline
CID 11926
2,4-Dimethylquinoline
CID 14536
4-(4-Dimethylaminostyryl)quinoline
CID 668053
1,1'-Diethyl-2,2'-cyanine iodide
CID 5484462
Quinaldine Red
CID 5702759
9-Methylacridine
CID 11913
1-Ethyl-2-methylquinolinium iodide
CID 69076
Quinoline, 2-(tribromomethyl)-
CID 69178

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine?
The IUPAC name of N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine (CID 102860146) is N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine?
The canonical SMILES for N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine is Cc1cc(CN(CCCBr)C2CCC2)c2ccccc2n1.
What is the InChIKey of N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine?
The InChIKey is WSQUIQXQRRJFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-14-12-15(17-8-2-3-9-18(17)20-14)13-21(11-5-10-19)16-6-4-7-16/h2-3,8-9,12,16H,4-7,10-11,13H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine?
N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine has a molecular weight of 347.30 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine is sourced from PubChem (CID 102860146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).