N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C10H21F3N2 — CID 65233130

IUPACN'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(CN)CN(CC)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-3-5-9(6-14)7-15(4-2)8-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyZYNAYDVIFXZBNJ-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.25
Rot. Bonds7

About N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 65233130) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID65233130
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC NameN'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCCCC(CN)CN(CC)CC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-3-5-9(6-14)7-15(4-2)8-10(11,12)13/h9H,3-8,14H2,1-2H3
InChIKeyZYNAYDVIFXZBNJ-UHFFFAOYSA-N
XLogP2.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N',2-tripropylpropane-1,3-diamine
CID 65228607
N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine
CID 65233192
N'-(cyclopropylmethyl)-N'-ethyl-2-propylpropane-1,3-diamine
CID 65233033
1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64821124
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974638
2-ethoxy-N'-ethyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 63069720
N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426258
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
CID 114998355
N'-ethyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555477

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 65233130) is N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is CCCC(CN)CN(CC)CC(F)(F)F.
What is the InChIKey of N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is ZYNAYDVIFXZBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-3-5-9(6-14)7-15(4-2)8-10(11,12)13/h9H,3-8,14H2,1-2H3.
What are the key properties of N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 65233130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).