N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

C17H28F3N3 — CID 91610944

IUPACN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCN(C)CCCN(CCCN(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H28F3N3/c1-21(2)10-6-12-23(13-7-11-22(3)4)16-9-5-8-15(14-16)17(18,19)20/h5,8-9,14H,6-7,10-13H2,1-4H3
InChIKeyBCBXPBKPHJDZBI-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.42
Rot. Bonds9

About N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (PubChem CID 91610944) has the molecular formula C17H28F3N3 and a molecular weight of 331.43 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
PubChem CID91610944
Molecular FormulaC17H28F3N3
Molecular Weight331.43 g/mol
Exact Mass331.22
IUPAC NameN'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
SMILESCN(C)CCCN(CCCN(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H28F3N3/c1-21(2)10-6-12-23(13-7-11-22(3)4)16-9-5-8-15(14-16)17(18,19)20/h5,8-9,14H,6-7,10-13H2,1-4H3
InChIKeyBCBXPBKPHJDZBI-UHFFFAOYSA-N
XLogP3.42
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 170865959
2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
CID 117029243
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
N,N',N'-trimethyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 70532462
N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine
CID 135398356
N-methyl-N-[3-(trifluoromethyl)phenyl]formamide
CID 162541615
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 110454688
ethane;N'-(3-ethylphenyl)-N,N-dimethyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 143170107
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
N'-prop-2-ynyl-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 151849646

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine (CID 91610944) is N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is CN(C)CCCN(CCCN(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
The InChIKey is BCBXPBKPHJDZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N3/c1-21(2)10-6-12-23(13-7-11-22(3)4)16-9-5-8-15(14-16)17(18,19)20/h5,8-9,14H,6-7,10-13H2,1-4H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine?
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine has a molecular weight of 331.43 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine is sourced from PubChem (CID 91610944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).