1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine

C17H22F3N3 — CID 10520098

IUPAC1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H22F3N3/c1-4-23(5-2)11-12(3)22-15-8-9-21-16-10-13(17(18,19)20)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyLAUYMVDAYJGGBO-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.40
Rot. Bonds6

About 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine

1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine (PubChem CID 10520098) has the molecular formula C17H22F3N3 and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
PubChem CID10520098
Molecular FormulaC17H22F3N3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H22F3N3/c1-4-23(5-2)11-12(3)22-15-8-9-21-16-10-13(17(18,19)20)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyLAUYMVDAYJGGBO-UHFFFAOYSA-N
XLogP4.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine (CID 10520098) is 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine is CCN(CC)CC(C)Nc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine?
The InChIKey is LAUYMVDAYJGGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3/c1-4-23(5-2)11-12(3)22-15-8-9-21-16-10-13(17(18,19)20)6-7-14(15)16/h6-10,12H,4-5,11H2,1-3H3,(H,21,22).
What are the key properties of 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine?
1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine has a molecular weight of 325.38 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine is sourced from PubChem (CID 10520098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).