N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C17H21BrN2 — CID 115959416

IUPACN-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2ccc(Br)c3cccnc23)C1(C)C
InChIInChI=1S/C17H21BrN2/c1-16(2)15(17(16,3)4)20-10-11-7-8-13(18)12-6-5-9-19-14(11)12/h5-9,15,20H,10H2,1-4H3
InChIKeyYSTDCYHOFXTHDQ-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.52
Rot. Bonds3

About N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 115959416) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID115959416
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2ccc(Br)c3cccnc23)C1(C)C
InChIInChI=1S/C17H21BrN2/c1-16(2)15(17(16,3)4)20-10-11-7-8-13(18)12-6-5-9-19-14(11)12/h5-9,15,20H,10H2,1-4H3
InChIKeyYSTDCYHOFXTHDQ-UHFFFAOYSA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine with MolForge

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine
CID 112617700
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
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]-4-fluoroaniline
CID 115958992

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 115959416) is N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is CC1(C)C(NCc2ccc(Br)c3cccnc23)C1(C)C.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is YSTDCYHOFXTHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-16(2)15(17(16,3)4)20-10-11-7-8-13(18)12-6-5-9-19-14(11)12/h5-9,15,20H,10H2,1-4H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 333.27 g/mol, XLogP of 4.52, 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]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 115959416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).