1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine

C14H26F3N — CID 64776046

IUPAC1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCC(CC)CC1
InChIInChI=1S/C14H26F3N/c1-3-9-18-13(10-14(15,16)17)12-7-5-11(4-2)6-8-12/h11-13,18H,3-10H2,1-2H3
InChIKeyLAKBNFQDXVKAMV-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.52
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 64776046) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID64776046
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1CCC(CC)CC1
InChIInChI=1S/C14H26F3N/c1-3-9-18-13(10-14(15,16)17)12-7-5-11(4-2)6-8-12/h11-13,18H,3-10H2,1-2H3
InChIKeyLAKBNFQDXVKAMV-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-N-propylpent-4-yn-1-amine
CID 65395607
1-(4-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105155222
N-[2-cyclopropyl-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 64907023
1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 65392907
N-[2-cyclopentyl-1-[4-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105139109
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
1-cyclopentyl-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62604821
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
CID 64775232
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
1-(2-bicyclo[2.2.1]heptanyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114245869
4-methyl-N-propyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 65424745

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 64776046) is 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)C1CCC(CC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is LAKBNFQDXVKAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N/c1-3-9-18-13(10-14(15,16)17)12-7-5-11(4-2)6-8-12/h11-13,18H,3-10H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 64776046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).