1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C15H27F3N2O — CID 115437555

IUPAC1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H27F3N2O/c1-3-12(4-2)20(11-15(16,17)18)13(21)14(10-19)8-6-5-7-9-14/h12H,3-11,19H2,1-2H3
InChIKeyBAGCZVHILQCDEV-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.48
Rot. Bonds6

About 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 115437555) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID115437555
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H27F3N2O/c1-3-12(4-2)20(11-15(16,17)18)13(21)14(10-19)8-6-5-7-9-14/h12H,3-11,19H2,1-2H3
InChIKeyBAGCZVHILQCDEV-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 115437555) is 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is BAGCZVHILQCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-3-12(4-2)20(11-15(16,17)18)13(21)14(10-19)8-6-5-7-9-14/h12H,3-11,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).