1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C15H25F3N2O — CID 115437517

IUPAC1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H25F3N2O/c1-11(12-5-6-12)20(10-15(16,17)18)13(21)14(9-19)7-3-2-4-8-14/h11-12H,2-10,19H2,1H3
InChIKeyUDPPEYVLYGXBNM-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.09
Rot. Bonds5

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

1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 115437517) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID115437517
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H25F3N2O/c1-11(12-5-6-12)20(10-15(16,17)18)13(21)14(9-19)7-3-2-4-8-14/h11-12H,2-10,19H2,1H3
InChIKeyUDPPEYVLYGXBNM-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 115437517) is 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is UDPPEYVLYGXBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-11(12-5-6-12)20(10-15(16,17)18)13(21)14(9-19)7-3-2-4-8-14/h11-12H,2-10,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).