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'}

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Related Compounds

4-[cyclopropyl-[(2-methylquinolin-4-yl)methyl]amino]butan-1-ol
CID 111457060
N-(3-bromopropyl)-N-(naphthalen-1-ylmethyl)cyclobutanamine
CID 102860169
N-(2-bromoethyl)-N-(quinolin-4-ylmethyl)cyclobutanamine
CID 102860813
4-N-methyl-4-N-[(2-methylquinolin-4-yl)methyl]cyclohexane-1,4-diamine
CID 79233798
N-(3-bromopropyl)-N-(quinolin-6-ylmethyl)cyclobutanamine
CID 102860359
N-(3-bromopropyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050093
1-cyclopropyl-2-[methyl-[(2-methylquinolin-4-yl)methyl]amino]ethanol
CID 111858846
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-[cyclobutyl(quinolin-4-ylmethyl)amino]ethanol
CID 102679767
N-[(4-bromo-2-chlorophenyl)methyl]-N-(3-bromopropyl)cyclobutanamine
CID 102860014
N-(2-chloroethyl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 79240137
N-cyclopentyl-1,3-dimethyl-N-[(2-methylquinolin-4-yl)methyl]pyrazole-4-carboxamide
CID 127315953

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).