1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide

C11H19F3N2O — CID 114130269

IUPAC1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C11H19F3N2O/c1-8(6-11(12,13)14)16-9(17)10(7-15)4-2-3-5-10/h8H,2-7,15H2,1H3,(H,16,17)
InChIKeyJMGFVTGNCDNGNY-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.96
Rot. Bonds4

About 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide (PubChem CID 114130269) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide
PubChem CID114130269
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide
SMILESCC(CC(F)(F)F)NC(=O)C1(CN)CCCC1
InChIInChI=1S/C11H19F3N2O/c1-8(6-11(12,13)14)16-9(17)10(7-15)4-2-3-5-10/h8H,2-7,15H2,1H3,(H,16,17)
InChIKeyJMGFVTGNCDNGNY-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide (CID 114130269) is 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide is CC(CC(F)(F)F)NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide?
The InChIKey is JMGFVTGNCDNGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(6-11(12,13)14)16-9(17)10(7-15)4-2-3-5-10/h8H,2-7,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4,4,4-trifluorobutan-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114130269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).