N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine

C16H19BrN2 — CID 102860813

IUPACN-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine
SMILESBrCCN(Cc1ccnc2ccccc12)C1CCC1
InChIInChI=1S/C16H19BrN2/c17-9-11-19(14-4-3-5-14)12-13-8-10-18-16-7-2-1-6-15(13)16/h1-2,6-8,10,14H,3-5,9,11-12H2
InChIKeyQZMXGHMZGICECB-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.98
Rot. Bonds5

About N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine

N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine (PubChem CID 102860813) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine
PubChem CID102860813
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine
SMILESBrCCN(Cc1ccnc2ccccc12)C1CCC1
InChIInChI=1S/C16H19BrN2/c17-9-11-19(14-4-3-5-14)12-13-8-10-18-16-7-2-1-6-15(13)16/h1-2,6-8,10,14H,3-5,9,11-12H2
InChIKeyQZMXGHMZGICECB-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.98
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

2-[cyclobutyl(quinolin-4-ylmethyl)amino]ethanol
CID 102679767
2-bromo-N-ethyl-N-(quinolin-4-ylmethyl)ethanamine
CID 80680315
N-(3-bromopropyl)-N-[(2-methylquinolin-4-yl)methyl]cyclobutanamine
CID 102860146
N-(2-bromoethyl)-N-[(2-chlorophenyl)methyl]cyclobutanamine
CID 102860888
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 50979401
N-(2,3,4,5,6-pentafluorophenyl)sulfanyl-N-(quinolin-4-ylmethyl)cyclopropanamine
CID 142547211
N-(2-bromoethyl)-N-[(2,3-dichlorophenyl)methyl]cyclopentanamine
CID 107310031
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
2-[cyclobutyl(naphthalen-1-ylmethyl)amino]ethanol
CID 102677069
N-(2-bromoethyl)-N-(quinolin-6-ylmethyl)cyclopropanamine
CID 80669109

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine?
The IUPAC name of N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine (CID 102860813) is N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine is BrCCN(Cc1ccnc2ccccc12)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine?
The InChIKey is QZMXGHMZGICECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c17-9-11-19(14-4-3-5-14)12-13-8-10-18-16-7-2-1-6-15(13)16/h1-2,6-8,10,14H,3-5,9,11-12H2.
What are the key properties of N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine?
N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine has a molecular weight of 319.25 g/mol, XLogP of 3.98, 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-4-ylmethyl)cyclobutanamine is sourced from PubChem (CID 102860813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).