N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine

C10H21F3N2O — CID 82957153

IUPACN',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCOCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-15(2)7-3-5-14-6-9-16-8-4-10(11,12)13/h14H,3-9H2,1-2H3
InChIKeyWSCLQFFOUCOLCP-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.50
Rot. Bonds9

About N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine (PubChem CID 82957153) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
PubChem CID82957153
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC NameN',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCOCCC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-15(2)7-3-5-14-6-9-16-8-4-10(11,12)13/h14H,3-9H2,1-2H3
InChIKeyWSCLQFFOUCOLCP-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.50
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

3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428
N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115518829
N,N-dimethyl-3-[2-(propylamino)ethoxy]propan-1-amine
CID 55210850
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
CID 116615333
N-[2-(cyclopropylmethoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62598711
4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
CID 115513651
3,3,3-trifluoro-N-(2-propoxyethyl)propan-1-amine
CID 106452004
N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61490482
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine (CID 82957153) is N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine is CN(C)CCCNCCOCCC(F)(F)F.
What is the InChIKey of N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine?
The InChIKey is WSCLQFFOUCOLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-15(2)7-3-5-14-6-9-16-8-4-10(11,12)13/h14H,3-9H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine is sourced from PubChem (CID 82957153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).