1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine

C13H23F3N2 — CID 116651561

IUPAC1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine
SMILESCN(C1CCCC(C(F)(F)F)C1)C(CN)C1CC1
InChIInChI=1S/C13H23F3N2/c1-18(12(8-17)9-5-6-9)11-4-2-3-10(7-11)13(14,15)16/h9-12H,2-8,17H2,1H3
InChIKeyQDMUDRKVGFRYLA-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.78
Rot. Bonds4

About 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine (PubChem CID 116651561) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine
PubChem CID116651561
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine
SMILESCN(C1CCCC(C(F)(F)F)C1)C(CN)C1CC1
InChIInChI=1S/C13H23F3N2/c1-18(12(8-17)9-5-6-9)11-4-2-3-10(7-11)13(14,15)16/h9-12H,2-8,17H2,1H3
InChIKeyQDMUDRKVGFRYLA-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine (CID 116651561) is 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine is CN(C1CCCC(C(F)(F)F)C1)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine?
The InChIKey is QDMUDRKVGFRYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-18(12(8-17)9-5-6-9)11-4-2-3-10(7-11)13(14,15)16/h9-12H,2-8,17H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)cyclohexyl]ethane-1,2-diamine is sourced from PubChem (CID 116651561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).