1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine

C14H22F3N3 — CID 139297415

IUPAC1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
SMILESCCC(CCN(C)CC(F)(F)F)Nc1cncc(C)c1
InChIInChI=1S/C14H22F3N3/c1-4-12(5-6-20(3)10-14(15,16)17)19-13-7-11(2)8-18-9-13/h7-9,12,19H,4-6,10H2,1-3H3
InChIKeyURNDIFCPXQLIGE-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.46
Rot. Bonds7

About 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine

1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine (PubChem CID 139297415) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
PubChem CID139297415
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
SMILESCCC(CCN(C)CC(F)(F)F)Nc1cncc(C)c1
InChIInChI=1S/C14H22F3N3/c1-4-12(5-6-20(3)10-14(15,16)17)19-13-7-11(2)8-18-9-13/h7-9,12,19H,4-6,10H2,1-3H3
InChIKeyURNDIFCPXQLIGE-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine with MolForge

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Related Compounds

N-(1-methoxybutan-2-yl)-5-methylpyridin-3-amine
CID 115922303
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
5-methyl-N-(1-phenylbutyl)pyridin-3-amine
CID 113354141
N-(3,3-dimethylbutan-2-yl)-5-methylpyridin-3-amine
CID 115922281
5-methyl-N-octan-2-ylpyridin-3-amine
CID 107584780
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932325
N,N-dimethyl-3-[(5-methyl-3-pyridinyl)amino]butanamide
CID 115922299
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
5-N-ethyl-3-N-methyl-5-N-(2,2,2-trifluoroethyl)pyridine-3,5-diamine
CID 104533826
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methylpyridin-3-amine
CID 103932305

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
The IUPAC name of 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine (CID 139297415) is 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
The canonical SMILES for 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine is CCC(CCN(C)CC(F)(F)F)Nc1cncc(C)c1.
What is the InChIKey of 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
The InChIKey is URNDIFCPXQLIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-4-12(5-6-20(3)10-14(15,16)17)19-13-7-11(2)8-18-9-13/h7-9,12,19H,4-6,10H2,1-3H3.
What are the key properties of 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine has a molecular weight of 289.35 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-(5-methyl-3-pyridinyl)-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine is sourced from PubChem (CID 139297415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).