1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide

C12H21F3N2O — CID 113327212

IUPAC1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCCCCC(F)(F)F)CCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)7-3-4-8-17-10(18)11(9-16)5-1-2-6-11/h1-9,16H2,(H,17,18)
InChIKeyWGNJBYIBVNAMAN-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.35
Rot. Bonds6

About 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide (PubChem CID 113327212) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
PubChem CID113327212
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
SMILESNCC1(C(=O)NCCCCC(F)(F)F)CCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)7-3-4-8-17-10(18)11(9-16)5-1-2-6-11/h1-9,16H2,(H,17,18)
InChIKeyWGNJBYIBVNAMAN-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
1-(aminomethyl)-N-(5-hydroxypentyl)cyclohexane-1-carboxamide
CID 107317645
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]butanoic acid
CID 115435094
7-[[1-(aminomethyl)cyclohexanecarbonyl]amino]heptanoic acid
CID 115437669
1-amino-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide;hydrochloride
CID 119322435
1-(aminomethyl)-N-(3-cyclopentylpropyl)cycloheptane-1-carboxamide
CID 106011677
1-(aminomethyl)-4-methyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 113310520
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
1-(5,5,5-trifluoropentylcarbamoyl)cyclopropane-1-carboxylic acid
CID 115521710
1-(aminomethyl)-N-(3-methylsulfinylpropyl)cyclopentane-1-carboxamide
CID 115739260
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide (CID 113327212) is 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide is NCC1(C(=O)NCCCCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
The InChIKey is WGNJBYIBVNAMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)7-3-4-8-17-10(18)11(9-16)5-1-2-6-11/h1-9,16H2,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 113327212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).