2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C12H21F3N2O — CID 64822617

IUPAC2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCC1N
InChIInChI=1S/C12H21F3N2O/c1-2-3-7-17(8-12(13,14)15)11(18)9-5-4-6-10(9)16/h9-10H,2-8,16H2,1H3
InChIKeyDCIVDUSWAXKSGN-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.30
Rot. Bonds5

About 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 64822617) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID64822617
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1CCCC1N
InChIInChI=1S/C12H21F3N2O/c1-2-3-7-17(8-12(13,14)15)11(18)9-5-4-6-10(9)16/h9-10H,2-8,16H2,1H3
InChIKeyDCIVDUSWAXKSGN-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 64822617) is 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is DCIVDUSWAXKSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-3-7-17(8-12(13,14)15)11(18)9-5-4-6-10(9)16/h9-10H,2-8,16H2,1H3.
What are the key properties of 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64822617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).