1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C15H25F3N2O — CID 64549410

IUPAC1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(CC(F)(F)F)C(C)C2CC2)C1
InChIInChI=1S/C15H25F3N2O/c1-10-4-3-7-14(19,8-10)13(21)20(9-15(16,17)18)11(2)12-5-6-12/h10-12H,3-9,19H2,1-2H3
InChIKeyYZYYHFMCEBGOBT-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.08
Rot. Bonds4

About 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 64549410) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID64549410
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(CC(F)(F)F)C(C)C2CC2)C1
InChIInChI=1S/C15H25F3N2O/c1-10-4-3-7-14(19,8-10)13(21)20(9-15(16,17)18)11(2)12-5-6-12/h10-12H,3-9,19H2,1-2H3
InChIKeyYZYYHFMCEBGOBT-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylcyclohexane-1-carboxamide
CID 64549832
1-amino-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64552541
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 115434980
1-amino-N-(2-hydroxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64550859
1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 60947116
4-[(1-amino-3-methylcyclohexanecarbonyl)-propan-2-ylamino]butanoic acid
CID 64552529
N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 83071498
1-amino-N-(2,2-dimethylpropyl)-N-methoxy-3-methylcyclohexane-1-carboxamide
CID 114277119
2-[(1-amino-3-methylcyclohexanecarbonyl)-methylamino]acetic acid
CID 64555060
N-(1-cyclopropylethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 106974581
1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 54872186
2-[(1-amino-3-methylcyclohexanecarbonyl)-tert-butylamino]acetic acid
CID 79268686

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 64549410) is 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)N(CC(F)(F)F)C(C)C2CC2)C1.
What is the InChIKey of 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is YZYYHFMCEBGOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-10-4-3-7-14(19,8-10)13(21)20(9-15(16,17)18)11(2)12-5-6-12/h10-12H,3-9,19H2,1-2H3.
What are the key properties of 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64549410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).