N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine

C17H21BrN2 — CID 102860359

IUPACN-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine
SMILESBrCCCN(Cc1ccc2ncccc2c1)C1CCC1
InChIInChI=1S/C17H21BrN2/c18-9-3-11-20(16-5-1-6-16)13-14-7-8-17-15(12-14)4-2-10-19-17/h2,4,7-8,10,12,16H,1,3,5-6,9,11,13H2
InChIKeyQBZRBWDBFUQQMS-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.37
Rot. Bonds6

About N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine

N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine (PubChem CID 102860359) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine
PubChem CID102860359
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine
SMILESBrCCCN(Cc1ccc2ncccc2c1)C1CCC1
InChIInChI=1S/C17H21BrN2/c18-9-3-11-20(16-5-1-6-16)13-14-7-8-17-15(12-14)4-2-10-19-17/h2,4,7-8,10,12,16H,1,3,5-6,9,11,13H2
InChIKeyQBZRBWDBFUQQMS-UHFFFAOYSA-N
XLogP4.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine
CID 80669109
2-[cyclopentyl(quinolin-6-ylmethyl)amino]ethanol
CID 62015236
N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
6-(2-bromoethyl)quinoline
CID 68811984
N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine
CID 102860146
3-chloro-N-ethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 113469085
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 102637488
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115639548
N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine?
The IUPAC name of N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine (CID 102860359) is N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine is BrCCCN(Cc1ccc2ncccc2c1)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine?
The InChIKey is QBZRBWDBFUQQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c18-9-3-11-20(16-5-1-6-16)13-14-7-8-17-15(12-14)4-2-10-19-17/h2,4,7-8,10,12,16H,1,3,5-6,9,11,13H2.
What are the key properties of N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine?
N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine has a molecular weight of 333.27 g/mol, XLogP of 4.37, 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-(quinolin-6-ylmethyl)cyclobutanamine is sourced from PubChem (CID 102860359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).