N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine

C12H24F3N3 — CID 62574239

IUPACN',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H24F3N3/c1-17(2)8-5-16-6-9-18-7-3-4-11(10-18)12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyRHLIZIKNRHEZED-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.41
Rot. Bonds6

About N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine (PubChem CID 62574239) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine
PubChem CID62574239
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC NameN',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H24F3N3/c1-17(2)8-5-16-6-9-18-7-3-4-11(10-18)12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyRHLIZIKNRHEZED-UHFFFAOYSA-N
XLogP1.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.41
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 N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine (CID 62574239) is N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine is CN(C)CCNCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine?
The InChIKey is RHLIZIKNRHEZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-17(2)8-5-16-6-9-18-7-3-4-11(10-18)12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine has a molecular weight of 267.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62574239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).