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

C8H17F3N2 — CID 103366119

IUPACN'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCCN(C)CC(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-3-4-13(2)6-7(5-12)8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyKVHZCHLHPMYBPF-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.47
Rot. Bonds5

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

N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366119) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366119
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC NameN'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCCCN(C)CC(CN)C(F)(F)F
InChIInChI=1S/C8H17F3N2/c1-3-4-13(2)6-7(5-12)8(9,10)11/h7H,3-6,12H2,1-2H3
InChIKeyKVHZCHLHPMYBPF-UHFFFAOYSA-N
XLogP1.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-ethoxyethyl)-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366414
N'-cyclopropyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366118
2-(trifluoromethyl)butan-1-amine
CID 10351789
N'-benzyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366167
2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
CID 106114512
N'-cyclopentyl-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366115
2-[[2-(aminomethyl)-3,3,3-trifluoropropyl]-(2-hydroxyethyl)amino]ethanol
CID 103366190
2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine
CID 165462267
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-(trifluoromethyl)propane-1,3-diamine
CID 103366264
3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 114998356
1-[2-aminoethyl(methyl)amino]butan-2-ol
CID 62687204

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine (CID 103366119) is N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine is CCCN(C)CC(CN)C(F)(F)F.
What is the InChIKey of N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is KVHZCHLHPMYBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c1-3-4-13(2)6-7(5-12)8(9,10)11/h7H,3-6,12H2,1-2H3.
What are the key properties of N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine?
N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).