4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine

C22H39N3Sn — CID 59891585

IUPAC4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine
SMILESCCN(CCCC(C)N(C)C1=CC=NC2C=CC=CC12)C(C)[119Sn](C)(C)C
InChIInChI=1S/C19H30N3.3CH3.Sn/c1-5-22(6-2)15-9-10-16(3)21(4)19-13-14-20-18-12-8-7-11-17(18)19;;;;/h5,7-8,11-14,16-18H,6,9-10,15H2,1-4H3;3*1H3;/i;;;;1+0
InChIKeyGPQKLWPPJFJHID-AZCDSDHNSA-N
MW464.48 g/mol
LogP4.75
Rot. Bonds9

About 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine

4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine (PubChem CID 59891585) has the molecular formula C22H39N3Sn and a molecular weight of 464.48 g/mol. Its IUPAC name is 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine
PubChem CID59891585
Molecular FormulaC22H39N3Sn
Molecular Weight464.48 g/mol
Exact Mass464.22
IUPAC Name4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine
SMILESCCN(CCCC(C)N(C)C1=CC=NC2C=CC=CC12)C(C)[119Sn](C)(C)C
InChIInChI=1S/C19H30N3.3CH3.Sn/c1-5-22(6-2)15-9-10-16(3)21(4)19-13-14-20-18-12-8-7-11-17(18)19;;;;/h5,7-8,11-14,16-18H,6,9-10,15H2,1-4H3;3*1H3;/i;;;;1+0
InChIKeyGPQKLWPPJFJHID-AZCDSDHNSA-N
XLogP4.75
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine?
The IUPAC name of 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine (CID 59891585) is 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine is CCN(CCCC(C)N(C)C1=CC=NC2C=CC=CC12)C(C)[119Sn](C)(C)C.
What is the InChIKey of 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine?
The InChIKey is GPQKLWPPJFJHID-AZCDSDHNSA-N. The full InChI is InChI=1S/C19H30N3.3CH3.Sn/c1-5-22(6-2)15-9-10-16(3)21(4)19-13-14-20-18-12-8-7-11-17(18)19;;;;/h5,7-8,11-14,16-18H,6,9-10,15H2,1-4H3;3*1H3;/i;;;;1+0.
What are the key properties of 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine?
4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine has a molecular weight of 464.48 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4a,8a-dihydroquinolin-4-yl)-1-N-ethyl-4-N-methyl-1-N-(1-(119Sn)trimethyl(119Sn)stannylethyl)pentane-1,4-diamine is sourced from PubChem (CID 59891585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).