3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine

C12H25F3N2 — CID 79483506

IUPAC3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)C(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-5-10(6-2)17(8-9(3)4)11(7-16)12(13,14)15/h9-11H,5-8,16H2,1-4H3
InChIKeyNZCIXZQKGAPHAG-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.02
Rot. Bonds7

About 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine

3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 79483506) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
PubChem CID79483506
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC Name3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)N(CC(C)C)C(CN)C(F)(F)F
InChIInChI=1S/C12H25F3N2/c1-5-10(6-2)17(8-9(3)4)11(7-16)12(13,14)15/h9-11H,5-8,16H2,1-4H3
InChIKeyNZCIXZQKGAPHAG-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine (CID 79483506) is 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)N(CC(C)C)C(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is NZCIXZQKGAPHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-5-10(6-2)17(8-9(3)4)11(7-16)12(13,14)15/h9-11H,5-8,16H2,1-4H3.
What are the key properties of 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine?
3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 79483506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).