1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

C17H30F3N — CID 105155375

IUPAC1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCC1CCC(C(NC)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H30F3N/c1-3-12-4-6-13(7-5-12)16(21-2)14-8-10-15(11-9-14)17(18,19)20/h12-16,21H,3-11H2,1-2H3
InChIKeyCBZTWCIYXRXPBX-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.16
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine

1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105155375) has the molecular formula C17H30F3N and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105155375
Molecular FormulaC17H30F3N
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC Name1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCC1CCC(C(NC)C2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C17H30F3N/c1-3-12-4-6-13(7-5-12)16(21-2)14-8-10-15(11-9-14)17(18,19)20/h12-16,21H,3-11H2,1-2H3
InChIKeyCBZTWCIYXRXPBX-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(4-ethylcyclohexyl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313107
1-cyclohexyl-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105080029
1-(3-ethylcyclohexyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65394157
1-ethyl-4-[1,1,2,2-tetrafluoro-2-[4-(trifluoromethyl)cyclohexyl]ethyl]cyclohexane
CID 101139965
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65413158
1-(4-ethylcyclohexyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 104990951
1-ethyl-4-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]cyclohexane
CID 101139962
[(4-tert-butylcyclohexyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105232715
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 64774419
N-methyl-1-(4-methylcyclohexyl)-1-(4-propylcyclohexyl)methanamine
CID 65423190
N-[cycloheptyl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105176328
1-(4-ethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 65392907

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105155375) is 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is CCC1CCC(C(NC)C2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is CBZTWCIYXRXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N/c1-3-12-4-6-13(7-5-12)16(21-2)14-8-10-15(11-9-14)17(18,19)20/h12-16,21H,3-11H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine?
1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 305.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105155375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).