N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine

C17H22F3N3 — CID 10687513

IUPACN',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H22F3N3/c1-3-23(4-2)11-5-9-21-15-8-10-22-16-12-13(17(18,19)20)6-7-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,21,22)
InChIKeyNNLNIRYGAMASQD-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.40
Rot. Bonds7

About N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine

N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine (PubChem CID 10687513) has the molecular formula C17H22F3N3 and a molecular weight of 325.38 g/mol. Its IUPAC name is N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
PubChem CID10687513
Molecular FormulaC17H22F3N3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC NameN',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H22F3N3/c1-3-23(4-2)11-5-9-21-15-8-10-22-16-12-13(17(18,19)20)6-7-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,21,22)
InChIKeyNNLNIRYGAMASQD-UHFFFAOYSA-N
XLogP4.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.40
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]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine (CID 10687513) is N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine is CCN(CC)CCCNc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
The InChIKey is NNLNIRYGAMASQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3/c1-3-23(4-2)11-5-9-21-15-8-10-22-16-12-13(17(18,19)20)6-7-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,21,22).
What are the key properties of N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
N',N'-diethyl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine has a molecular weight of 325.38 g/mol, XLogP of 4.40, 7 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]propane-1,3-diamine is sourced from PubChem (CID 10687513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).