N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine

C15H17BrN2 — CID 80669109

IUPACN-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine
SMILESBrCCN(Cc1ccc2ncccc2c1)C1CC1
InChIInChI=1S/C15H17BrN2/c16-7-9-18(14-4-5-14)11-12-3-6-15-13(10-12)2-1-8-17-15/h1-3,6,8,10,14H,4-5,7,9,11H2
InChIKeySFUQGXVKKXUJPW-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.59
Rot. Bonds5

About N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine

N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine (PubChem CID 80669109) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine
PubChem CID80669109
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine
SMILESBrCCN(Cc1ccc2ncccc2c1)C1CC1
InChIInChI=1S/C15H17BrN2/c16-7-9-18(14-4-5-14)11-12-3-6-15-13(10-12)2-1-8-17-15/h1-3,6,8,10,14H,4-5,7,9,11H2
InChIKeySFUQGXVKKXUJPW-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.59
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-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine
CID 102860359
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-(2-bromoethyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropanamine
CID 80669807
N-methyl-1,1-dioxo-N-(quinolin-6-ylmethyl)thiolan-3-amine
CID 46981762
N-(2-bromoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 80666990
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
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-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine
CID 102860813

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine (CID 80669109) is N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine is BrCCN(Cc1ccc2ncccc2c1)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine?
The InChIKey is SFUQGXVKKXUJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c16-7-9-18(14-4-5-14)11-12-3-6-15-13(10-12)2-1-8-17-15/h1-3,6,8,10,14H,4-5,7,9,11H2.
What are the key properties of N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine?
N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine has a molecular weight of 305.22 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine is sourced from PubChem (CID 80669109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).