1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine

C16H30F3NO — CID 116764230

IUPAC1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1(OCC)CCCCC1
InChIInChI=1S/C16H30F3NO/c1-3-13-20-14(9-8-12-16(17,18)19)15(21-4-2)10-6-5-7-11-15/h14,20H,3-13H2,1-2H3
InChIKeyQRQOWAJABQSDOY-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.83
Rot. Bonds9

About 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine

1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine (PubChem CID 116764230) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine
PubChem CID116764230
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)C1(OCC)CCCCC1
InChIInChI=1S/C16H30F3NO/c1-3-13-20-14(9-8-12-16(17,18)19)15(21-4-2)10-6-5-7-11-15/h14,20H,3-13H2,1-2H3
InChIKeyQRQOWAJABQSDOY-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
CID 116764224
1-(1-ethoxycyclohexyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114476070
5,5,5-trifluoro-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 113327153
1-(4-ethoxyoxan-4-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 116765669
1-(1-ethoxycyclopentyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 116762435
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(1-ethoxycycloheptyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 116771119
1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
CID 116770521
N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine
CID 79063262
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
1-(1-ethoxycyclopentyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 116762402

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine (CID 116764230) is 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)C1(OCC)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
The InChIKey is QRQOWAJABQSDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-3-13-20-14(9-8-12-16(17,18)19)15(21-4-2)10-6-5-7-11-15/h14,20H,3-13H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine?
1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-5,5,5-trifluoro-N-propylpentan-1-amine is sourced from PubChem (CID 116764230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).