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

C14H23F3N2O — CID 60940206

IUPAC4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CCC(N)CC1
InChIInChI=1S/C14H23F3N2O/c1-9(10-2-3-10)19(8-14(15,16)17)13(20)11-4-6-12(18)7-5-11/h9-12H,2-8,18H2,1H3
InChIKeyTTWCAKCFXYUBAR-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.69
Rot. Bonds4

About 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 60940206) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID60940206
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CCC(N)CC1
InChIInChI=1S/C14H23F3N2O/c1-9(10-2-3-10)19(8-14(15,16)17)13(20)11-4-6-12(18)7-5-11/h9-12H,2-8,18H2,1H3
InChIKeyTTWCAKCFXYUBAR-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 60940206) is 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is TTWCAKCFXYUBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-9(10-2-3-10)19(8-14(15,16)17)13(20)11-4-6-12(18)7-5-11/h9-12H,2-8,18H2,1H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60940206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).