1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine

C16H31F3N2 — CID 115517277

IUPAC1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H31F3N2/c1-5-20-14(9-7-11-16(17,18)19)15(21(3)4)10-6-8-13(2)12-15/h13-14,20H,5-12H2,1-4H3
InChIKeyPYNOYUNJNFNOME-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.21
Rot. Bonds7

About 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine

1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 115517277) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID115517277
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C16H31F3N2/c1-5-20-14(9-7-11-16(17,18)19)15(21(3)4)10-6-8-13(2)12-15/h13-14,20H,5-12H2,1-4H3
InChIKeyPYNOYUNJNFNOME-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine (CID 115517277) is 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine is CCNC(CCCC(F)(F)F)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is PYNOYUNJNFNOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-5-20-14(9-7-11-16(17,18)19)15(21(3)4)10-6-8-13(2)12-15/h13-14,20H,5-12H2,1-4H3.
What are the key properties of 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 115517277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).