N'-methyl-2-(trifluoromethyl)propane-1,3-diamine

C5H11F3N2 — CID 84716612

IUPACN'-methyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCNCC(CN)C(F)(F)F
InChIInChI=1S/C5H11F3N2/c1-10-3-4(2-9)5(6,7)8/h4,10H,2-3,9H2,1H3
InChIKeyDFFRYUCELNONHE-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.34
Rot. Bonds3

About N'-methyl-2-(trifluoromethyl)propane-1,3-diamine

N'-methyl-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 84716612) has the molecular formula C5H11F3N2 and a molecular weight of 156.15 g/mol. Its IUPAC name is N'-methyl-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID84716612
Molecular FormulaC5H11F3N2
Molecular Weight156.15 g/mol
Exact Mass156.09
IUPAC NameN'-methyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCNCC(CN)C(F)(F)F
InChIInChI=1S/C5H11F3N2/c1-10-3-4(2-9)5(6,7)8/h4,10H,2-3,9H2,1H3
InChIKeyDFFRYUCELNONHE-UHFFFAOYSA-N
XLogP0.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-2-(trifluoromethyl)pentan-1-amine
CID 83828619
2-(trifluoromethyl)butan-1-amine
CID 10351789
4,4,4-trifluoro-2-(trifluoromethyl)butan-1-amine
CID 82534528
3,3,3-trifluoro-N-methyl-2-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 126844042
4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol
CID 84726902
N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 84729053
2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
CID 142196166
(2R)-3-N-methylpropane-1,2,3-triamine
CID 155906228
(3R,5R)-5-amino-6-(methylamino)-3-(trifluoromethyl)hexanoic acid
CID 125425862
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
3,3,3-trifluoro-2-(2-methylpropylsulfinylmethyl)propan-1-amine
CID 103372577
3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine
CID 106447048

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-2-(trifluoromethyl)propane-1,3-diamine (CID 84716612) is N'-methyl-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-(trifluoromethyl)propane-1,3-diamine is CNCC(CN)C(F)(F)F.
What is the InChIKey of N'-methyl-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is DFFRYUCELNONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2/c1-10-3-4(2-9)5(6,7)8/h4,10H,2-3,9H2,1H3.
What are the key properties of N'-methyl-2-(trifluoromethyl)propane-1,3-diamine?
N'-methyl-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 156.15 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 84716612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).