2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide

C10H17F3N2O — CID 82767800

IUPAC2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCC(F)(F)F)CCCC1N
InChIInChI=1S/C10H17F3N2O/c1-9(4-2-3-7(9)14)8(16)15-6-5-10(11,12)13/h7H,2-6,14H2,1H3,(H,15,16)
InChIKeyJRHANJYPBXNUAS-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide

2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide (PubChem CID 82767800) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
PubChem CID82767800
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCCC(F)(F)F)CCCC1N
InChIInChI=1S/C10H17F3N2O/c1-9(4-2-3-7(9)14)8(16)15-6-5-10(11,12)13/h7H,2-6,14H2,1H3,(H,15,16)
InChIKeyJRHANJYPBXNUAS-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide (CID 82767800) is 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide is CC1(C(=O)NCCC(F)(F)F)CCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
The InChIKey is JRHANJYPBXNUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-9(4-2-3-7(9)14)8(16)15-6-5-10(11,12)13/h7H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82767800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).