N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine

C15H29F3N2O — CID 61491385

IUPACN,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCCCOCC(F)(F)F)(N(C)C)C1
InChIInChI=1S/C15H29F3N2O/c1-13-6-4-7-14(10-13,20(2)3)11-19-8-5-9-21-12-15(16,17)18/h13,19H,4-12H2,1-3H3
InChIKeyANFZBNITOYHHBW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.06
Rot. Bonds8

About N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine (PubChem CID 61491385) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine
PubChem CID61491385
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC NameN,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNCCCOCC(F)(F)F)(N(C)C)C1
InChIInChI=1S/C15H29F3N2O/c1-13-6-4-7-14(10-13,20(2)3)11-19-8-5-9-21-12-15(16,17)18/h13,19H,4-12H2,1-3H3
InChIKeyANFZBNITOYHHBW-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.06
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,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine (CID 61491385) is N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine is CC1CCCC(CNCCCOCC(F)(F)F)(N(C)C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine?
The InChIKey is ANFZBNITOYHHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-13-6-4-7-14(10-13,20(2)3)11-19-8-5-9-21-12-15(16,17)18/h13,19H,4-12H2,1-3H3.
What are the key properties of N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 61491385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).