1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide

C11H19F3N2O2 — CID 82791692

IUPAC1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(OCCCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-16-10(9(15)17)5-3-8(7-10)18-6-2-4-11(12,13)14/h8,16H,2-7H2,1H3,(H2,15,17)
InChIKeyAMHHEMQSHDGTNY-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds6

About 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide

1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide (PubChem CID 82791692) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide
PubChem CID82791692
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(OCCCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-16-10(9(15)17)5-3-8(7-10)18-6-2-4-11(12,13)14/h8,16H,2-7H2,1H3,(H2,15,17)
InChIKeyAMHHEMQSHDGTNY-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
CID 79648653
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxamide
CID 79649123
3-(4-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649432
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865
3-heptoxy-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648352
1-(methylamino)-3-(4-methylpentoxy)cyclopentane-1-carboxylic acid
CID 79648891
ethyl 1-(ethylamino)-3-(3,3,3-trifluoropropoxy)cyclopentane-1-carboxylate
CID 82958552
3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653496
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
3-(2-methoxyethoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79648903
[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
CID 82793798
3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 106666769

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide (CID 82791692) is 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(OCCCC(F)(F)F)C1.
What is the InChIKey of 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide?
The InChIKey is AMHHEMQSHDGTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-16-10(9(15)17)5-3-8(7-10)18-6-2-4-11(12,13)14/h8,16H,2-7H2,1H3,(H2,15,17).
What are the key properties of 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide?
1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 82791692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).