N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

C9H19F3N2O — CID 61490917

IUPACN'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESCN(CCCN)CCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-14(5-2-4-13)6-3-7-15-8-9(10,11)12/h2-8,13H2,1H3
InChIKeyYKQOUBQBWBMUKD-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.24
Rot. Bonds8

About N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (PubChem CID 61490917) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
PubChem CID61490917
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC NameN'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESCN(CCCN)CCCOCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-14(5-2-4-13)6-3-7-15-8-9(10,11)12/h2-8,13H2,1H3
InChIKeyYKQOUBQBWBMUKD-UHFFFAOYSA-N
XLogP1.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-ethoxypropyl)propane-1,3-diamine
CID 59483297
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 61491337
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
N'-methyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,4-diamine
CID 134276360
[2,2-Difluoro-3-(propan-2-yloxy)propyl](ethyl)amine
CID 134579334
N'-ethyl-N'-[1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)butan-2-yl]-N-(trifluoromethyl)propane-1,3-diamine
CID 145366174
(3-Ethoxypropyl)(2,2,2-trifluoroethyl)amine
CID 28584533
N,N,2,2-tetramethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 54961709
N',N'-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 54961863
N',N'-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 54961953
N',N'-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 54962021

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (CID 61490917) is N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is CN(CCCN)CCCOCC(F)(F)F.
What is the InChIKey of N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The InChIKey is YKQOUBQBWBMUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-14(5-2-4-13)6-3-7-15-8-9(10,11)12/h2-8,13H2,1H3.
What are the key properties of N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 61490917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).