N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine

C12H25F3N2 — CID 55074202

IUPACN'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
SMILESCCCNCCCCCN(CC)CC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-3-8-16-9-6-5-7-10-17(4-2)11-12(13,14)15/h16H,3-11H2,1-2H3
InChIKeyLXWQTIJDORJTSO-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.04
Rot. Bonds10

About N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine

N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine (PubChem CID 55074202) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
PubChem CID55074202
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC NameN'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
SMILESCCCNCCCCCN(CC)CC(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-3-8-16-9-6-5-7-10-17(4-2)11-12(13,14)15/h16H,3-11H2,1-2H3
InChIKeyLXWQTIJDORJTSO-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-hexyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089724
N-tert-butyl-N'-ethyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine
CID 62425905
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
N'-ethyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555477
decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine
CID 167691953
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
The IUPAC name of N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine (CID 55074202) is N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
The canonical SMILES for N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine is CCCNCCCCCN(CC)CC(F)(F)F.
What is the InChIKey of N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
The InChIKey is LXWQTIJDORJTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-3-8-16-9-6-5-7-10-17(4-2)11-12(13,14)15/h16H,3-11H2,1-2H3.
What are the key properties of N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine?
N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-propyl-N'-(2,2,2-trifluoroethyl)pentane-1,5-diamine is sourced from PubChem (CID 55074202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).