N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine

C24H30N2 — CID 70872860

IUPACN-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine
SMILESCCNCc1ccc(CCCCCCc2ccccc2)c2cccnc12
InChIInChI=1S/C24H30N2/c1-2-25-19-22-17-16-21(23-15-10-18-26-24(22)23)14-9-4-3-6-11-20-12-7-5-8-13-20/h5,7-8,10,12-13,15-18,25H,2-4,6,9,11,14,19H2,1H3
InChIKeyUEBLCBVERRIYLY-UHFFFAOYSA-N
MW346.52 g/mol
LogP5.69
Rot. Bonds10

About N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine

N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine (PubChem CID 70872860) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine
PubChem CID70872860
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC NameN-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine
SMILESCCNCc1ccc(CCCCCCc2ccccc2)c2cccnc12
InChIInChI=1S/C24H30N2/c1-2-25-19-22-17-16-21(23-15-10-18-26-24(22)23)14-9-4-3-6-11-20-12-7-5-8-13-20/h5,7-8,10,12-13,15-18,25H,2-4,6,9,11,14,19H2,1H3
InChIKeyUEBLCBVERRIYLY-UHFFFAOYSA-N
XLogP5.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.69
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-undecylquinolin-8-ol
CID 10780517
N-[[5-[4-(3-phenylpropyl)phenyl]quinolin-8-yl]methyl]-3-phosphanylpropan-1-amine
CID 118352994
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
8-chloro-4-(3-phenylpropyl)quinoline
CID 19094102
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(2-methoxy-3-pyridinyl)methyl]-4-phenylbutan-1-amine
CID 114333213
N-benzylethanamine;tris(yttrium)
CID 158198357
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
4-tridecylquinolin-8-ol
CID 102274119
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-[[4-(2-phenylethyl)phenyl]methyl]ethanamine
CID 70892466

Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine (CID 70872860) is N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine is CCNCc1ccc(CCCCCCc2ccccc2)c2cccnc12.
What is the InChIKey of N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine?
The InChIKey is UEBLCBVERRIYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2/c1-2-25-19-22-17-16-21(23-15-10-18-26-24(22)23)14-9-4-3-6-11-20-12-7-5-8-13-20/h5,7-8,10,12-13,15-18,25H,2-4,6,9,11,14,19H2,1H3.
What are the key properties of N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine?
N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine has a molecular weight of 346.52 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine is sourced from PubChem (CID 70872860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).