N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine

C14H15BrN2 — CID 115968174

IUPACN-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCc2ccc(Br)c3cccnc23)CC1
InChIInChI=1S/C14H15BrN2/c1-14(6-7-14)17-9-10-4-5-12(15)11-3-2-8-16-13(10)11/h2-5,8,17H,6-7,9H2,1H3
InChIKeyKPQPAGTWHWRJDU-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.64
Rot. Bonds3

About N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine

N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine (PubChem CID 115968174) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
PubChem CID115968174
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCc2ccc(Br)c3cccnc23)CC1
InChIInChI=1S/C14H15BrN2/c1-14(6-7-14)17-9-10-4-5-12(15)11-3-2-8-16-13(10)11/h2-5,8,17H,6-7,9H2,1H3
InChIKeyKPQPAGTWHWRJDU-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 115959416
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750052
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 115959258

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine (CID 115968174) is N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine is CC1(NCc2ccc(Br)c3cccnc23)CC1.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine?
The InChIKey is KPQPAGTWHWRJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-14(6-7-14)17-9-10-4-5-12(15)11-3-2-8-16-13(10)11/h2-5,8,17H,6-7,9H2,1H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine?
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine has a molecular weight of 291.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 115968174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).