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

C14H17BrN2 — CID 112617660

IUPACN-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2/c1-2-3-8-16-10-11-6-7-13(15)12-5-4-9-17-14(11)12/h4-7,9,16H,2-3,8,10H2,1H3
InChIKeyXMFDEAIKWYDAAU-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.89
Rot. Bonds5

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

N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine (PubChem CID 112617660) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
PubChem CID112617660
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
SMILESCCCCNCc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2/c1-2-3-8-16-10-11-6-7-13(15)12-5-4-9-17-14(11)12/h4-7,9,16H,2-3,8,10H2,1H3
InChIKeyXMFDEAIKWYDAAU-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
N-[(5-bromoquinolin-8-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 115959068
N-[(5-bromoquinolin-8-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115968069
N-[(5-bromoquinolin-8-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 115959258
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
N-[(5-bromoquinolin-8-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103943704
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine (CID 112617660) is N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine is CCCCNCc1ccc(Br)c2cccnc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine?
The InChIKey is XMFDEAIKWYDAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-2-3-8-16-10-11-6-7-13(15)12-5-4-9-17-14(11)12/h4-7,9,16H,2-3,8,10H2,1H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine?
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine has a molecular weight of 293.21 g/mol, XLogP of 3.89, 5 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]butan-1-amine is sourced from PubChem (CID 112617660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).