N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine

C18H24F3N3 — CID 177479384

IUPACN,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
SMILESCC(C)N(C)CCCN(C)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H24F3N3/c1-13(2)23(3)10-5-11-24(4)17-8-9-22-16-12-14(18(19,20)21)6-7-15(16)17/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyNVGHIPOYNFKSJO-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.42
Rot. Bonds6

About N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine

N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine (PubChem CID 177479384) has the molecular formula C18H24F3N3 and a molecular weight of 339.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
PubChem CID177479384
Molecular FormulaC18H24F3N3
Molecular Weight339.41 g/mol
Exact Mass339.19
IUPAC NameN,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
SMILESCC(C)N(C)CCCN(C)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H24F3N3/c1-13(2)23(3)10-5-11-24(4)17-8-9-22-16-12-14(18(19,20)21)6-7-15(16)17/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyNVGHIPOYNFKSJO-UHFFFAOYSA-N
XLogP4.42
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177412301
N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133412324
N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide
CID 133401846
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133413138
N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133433816
N-ethyl-N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 123961261
N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401090
2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
CID 10825833
1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]amino]ethylamino]propan-2-ol
CID 71202655
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 152740170
4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
CID 103000007

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine (CID 177479384) is N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine is CC(C)N(C)CCCN(C)c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
The InChIKey is NVGHIPOYNFKSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3/c1-13(2)23(3)10-5-11-24(4)17-8-9-22-16-12-14(18(19,20)21)6-7-15(16)17/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine?
N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine has a molecular weight of 339.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 177479384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).