2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine

C9H17F3N2 — CID 43752728

IUPAC2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-6(7-3-4-7)14(2)8(5-13)9(10,11)12/h6-8H,3-5,13H2,1-2H3
InChIKeyMZWIEXMWLOLUJQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.61
Rot. Bonds4

About 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine

2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine (PubChem CID 43752728) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
PubChem CID43752728
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
SMILESCC(C1CC1)N(C)C(CN)C(F)(F)F
InChIInChI=1S/C9H17F3N2/c1-6(7-3-4-7)14(2)8(5-13)9(10,11)12/h6-8H,3-5,13H2,1-2H3
InChIKeyMZWIEXMWLOLUJQ-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine (CID 43752728) is 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine is CC(C1CC1)N(C)C(CN)C(F)(F)F.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
The InChIKey is MZWIEXMWLOLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-6(7-3-4-7)14(2)8(5-13)9(10,11)12/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine?
2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 43752728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).