N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H19F3N2 — CID 62555486

IUPACN-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(CCC)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-3-5-14-6-8-15(7-4-2)9-10(11,12)13/h3,14H,1,4-9H2,2H3
InChIKeyDEYIUDODIPVRHN-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.04
Rot. Bonds8

About N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62555486) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62555486
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESC=CCNCCN(CCC)CC(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-3-5-14-6-8-15(7-4-2)9-10(11,12)13/h3,14H,1,4-9H2,2H3
InChIKeyDEYIUDODIPVRHN-UHFFFAOYSA-N
XLogP2.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine
CID 57486597
1,1-difluoro-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 156464927
2,2-difluoro-N-prop-2-enylpropan-1-amine
CID 157848156
N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;(E)-1,1,1-trifluoro-2-methylbut-2-ene
CID 169188844
ethane;(E)-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 178010469
N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine
CID 55085259
N'-cyclopropyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554000
N'-propan-2-yl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555312
N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555964
N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62556969
N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560286
2-N-propan-2-yl-1-N-prop-2-enyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568662

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62555486) is N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is C=CCNCCN(CCC)CC(F)(F)F.
What is the InChIKey of N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is DEYIUDODIPVRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-3-5-14-6-8-15(7-4-2)9-10(11,12)13/h3,14H,1,4-9H2,2H3.
What are the key properties of N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 224.27 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).