1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C15H27F3N2O — CID 115441719

IUPAC1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H27F3N2O/c1-3-4-9-20(11-15(16,17)18)13(21)14(10-19)7-5-12(2)6-8-14/h12H,3-11,19H2,1-2H3
InChIKeyVOYUIMGMPYKBHN-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.33
Rot. Bonds6

About 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 115441719) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID115441719
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H27F3N2O/c1-3-4-9-20(11-15(16,17)18)13(21)14(10-19)7-5-12(2)6-8-14/h12H,3-11,19H2,1-2H3
InChIKeyVOYUIMGMPYKBHN-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 115441719) is 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is VOYUIMGMPYKBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-3-4-9-20(11-15(16,17)18)13(21)14(10-19)7-5-12(2)6-8-14/h12H,3-11,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butyl-4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115441719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).