N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine

C24H36F3N3 — CID 10836059

IUPACN',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine
SMILESCCN(CC)CCCCCCCCCCNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C24H36F3N3/c1-3-30(4-2)18-12-10-8-6-5-7-9-11-16-28-22-15-17-29-23-19-20(24(25,26)27)13-14-21(22)23/h13-15,17,19H,3-12,16,18H2,1-2H3,(H,28,29)
InChIKeyZRQWYFREEMWCDV-UHFFFAOYSA-N
MW423.57 g/mol
LogP7.13
Rot. Bonds14

About N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine

N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine (PubChem CID 10836059) has the molecular formula C24H36F3N3 and a molecular weight of 423.57 g/mol. Its IUPAC name is N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine
PubChem CID10836059
Molecular FormulaC24H36F3N3
Molecular Weight423.57 g/mol
Exact Mass423.29
IUPAC NameN',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine
SMILESCCN(CC)CCCCCCCCCCNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C24H36F3N3/c1-3-30(4-2)18-12-10-8-6-5-7-9-11-16-28-22-15-17-29-23-19-20(24(25,26)27)13-14-21(22)23/h13-15,17,19H,3-12,16,18H2,1-2H3,(H,28,29)
InChIKeyZRQWYFREEMWCDV-UHFFFAOYSA-N
XLogP7.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.57
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine?
The IUPAC name of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine (CID 10836059) is N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine.
What is the SMILES notation for N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine?
The canonical SMILES for N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine is CCN(CC)CCCCCCCCCCNc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine?
The InChIKey is ZRQWYFREEMWCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F3N3/c1-3-30(4-2)18-12-10-8-6-5-7-9-11-16-28-22-15-17-29-23-19-20(24(25,26)27)13-14-21(22)23/h13-15,17,19H,3-12,16,18H2,1-2H3,(H,28,29).
What are the key properties of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine?
N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine has a molecular weight of 423.57 g/mol, XLogP of 7.13, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]decane-1,10-diamine is sourced from PubChem (CID 10836059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).