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

C12H25F3N2O — CID 55087948

IUPAC1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(C)CNCCCOC
InChIInChI=1S/C12H25F3N2O/c1-4-7-17(10-12(13,14)15)11(2)9-16-6-5-8-18-3/h11,16H,4-10H2,1-3H3
InChIKeyDLDADHDFPDEROI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.28
Rot. Bonds10

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

1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 55087948) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID55087948
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CC(F)(F)F)C(C)CNCCCOC
InChIInChI=1S/C12H25F3N2O/c1-4-7-17(10-12(13,14)15)11(2)9-16-6-5-8-18-3/h11,16H,4-10H2,1-3H3
InChIKeyDLDADHDFPDEROI-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 55087948) is 1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCCN(CC(F)(F)F)C(C)CNCCCOC.
What is the InChIKey of 1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is DLDADHDFPDEROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-4-7-17(10-12(13,14)15)11(2)9-16-6-5-8-18-3/h11,16H,4-10H2,1-3H3.
What are the key properties of 1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 55087948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).