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

C14H25F3N2O — CID 115441730

IUPAC1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CC(F)(F)F)C(C)C)CC1
InChIInChI=1S/C14H25F3N2O/c1-10(2)19(9-14(15,16)17)12(20)13(8-18)6-4-11(3)5-7-13/h10-11H,4-9,18H2,1-3H3
InChIKeyNTEISHSTHZZHGA-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.94
Rot. Bonds4

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

1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 115441730) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID115441730
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)N(CC(F)(F)F)C(C)C)CC1
InChIInChI=1S/C14H25F3N2O/c1-10(2)19(9-14(15,16)17)12(20)13(8-18)6-4-11(3)5-7-13/h10-11H,4-9,18H2,1-3H3
InChIKeyNTEISHSTHZZHGA-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 115441730) is 1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)N(CC(F)(F)F)C(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is NTEISHSTHZZHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-10(2)19(9-14(15,16)17)12(20)13(8-18)6-4-11(3)5-7-13/h10-11H,4-9,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115441730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).