N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O — CID 115737026

IUPACN-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC1CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)11-6-2-1-5-10(11)13(20)19-8-9-4-3-7-12(9)18/h9-12H,1-8,18H2,(H,19,20)
InChIKeyHSQNMRYVIZYQGI-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.60
Rot. Bonds3

About N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115737026) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115737026
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC1CCCC1CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)11-6-2-1-5-10(11)13(20)19-8-9-4-3-7-12(9)18/h9-12H,1-8,18H2,(H,19,20)
InChIKeyHSQNMRYVIZYQGI-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622537
N-[(2-aminocyclohexyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 64928230
N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114955797
N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115736893
N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583697
N-[(2-aminocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64928421
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622061
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107845636
2-amino-N-(cyclopentylmethyl)cyclopentane-1-carboxamide
CID 64822133
N-[(2-aminocyclopentyl)methyl]-1,1-dioxothiane-2-carboxamide
CID 104522509
N-(4-iodobutyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106846363

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115737026) is N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is NC1CCCC1CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is HSQNMRYVIZYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c15-14(16,17)11-6-2-1-5-10(11)13(20)19-8-9-4-3-7-12(9)18/h9-12H,1-8,18H2,(H,19,20).
What are the key properties of N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115737026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).