N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine

C12H23F3N2 — CID 142330257

IUPACN'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine
SMILESCCN(C)CN(CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H23F3N2/c1-3-16(2)10-17(9-12(13,14)15)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyYNCNVSBIYIQWFC-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.09
Rot. Bonds5

About N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine

N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine (PubChem CID 142330257) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine
PubChem CID142330257
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine
SMILESCCN(C)CN(CC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H23F3N2/c1-3-16(2)10-17(9-12(13,14)15)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3
InChIKeyYNCNVSBIYIQWFC-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine?
The IUPAC name of N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine (CID 142330257) is N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine.
What is the SMILES notation for N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine?
The canonical SMILES for N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine is CCN(C)CN(CC(F)(F)F)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine?
The InChIKey is YNCNVSBIYIQWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-3-16(2)10-17(9-12(13,14)15)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3.
What are the key properties of N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine?
N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine has a molecular weight of 252.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-ethyl-N-methyl-N'-(2,2,2-trifluoroethyl)methanediamine is sourced from PubChem (CID 142330257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).