1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine

C15H29F3N2 — CID 79074481

IUPAC1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H29F3N2/c1-5-19-13(8-10-15(16,17)18)14(20(3)4)9-6-7-12(2)11-14/h12-13,19H,5-11H2,1-4H3
InChIKeyFDKRVDYIRFTHRW-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.82
Rot. Bonds6

About 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine

1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074481) has the molecular formula C15H29F3N2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074481
Molecular FormulaC15H29F3N2
Molecular Weight294.41 g/mol
Exact Mass294.23
IUPAC Name1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(CCC(F)(F)F)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C15H29F3N2/c1-5-19-13(8-10-15(16,17)18)14(20(3)4)9-6-7-12(2)11-14/h12-13,19H,5-11H2,1-4H3
InChIKeyFDKRVDYIRFTHRW-UHFFFAOYSA-N
XLogP3.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074481) is 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine is CCNC(CCC(F)(F)F)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is FDKRVDYIRFTHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-5-19-13(8-10-15(16,17)18)14(20(3)4)9-6-7-12(2)11-14/h12-13,19H,5-11H2,1-4H3.
What are the key properties of 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-4,4,4-trifluorobutyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).