N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

C15H29F3N2O — CID 61490968

IUPACN'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESCN(CCCNCCCOCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H29F3N2O/c1-20(14-7-3-2-4-8-14)11-5-9-19-10-6-12-21-13-15(16,17)18/h14,19H,2-13H2,1H3
InChIKeyKRHGCBRVYDJHDE-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.20
Rot. Bonds10

About N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (PubChem CID 61490968) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
PubChem CID61490968
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC NameN'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
SMILESCN(CCCNCCCOCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H29F3N2O/c1-20(14-7-3-2-4-8-14)11-5-9-19-10-6-12-21-13-15(16,17)18/h14,19H,2-13H2,1H3
InChIKeyKRHGCBRVYDJHDE-UHFFFAOYSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.20
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'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine (CID 61490968) is N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is CN(CCCNCCCOCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
The InChIKey is KRHGCBRVYDJHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-20(14-7-3-2-4-8-14)11-5-9-19-10-6-12-21-13-15(16,17)18/h14,19H,2-13H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine has a molecular weight of 310.40 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 61490968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).