2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

C15H28F3IN4O — CID 109471268

IUPAC2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)NCCNC(=O)CC1CCCC1.I
InChIInChI=1S/C15H27F3N4O.HI/c1-2-19-14(21-8-7-15(16,17)18)22-10-9-20-13(23)11-12-5-3-4-6-12;/h12H,2-11H2,1H3,(H,20,23)(H2,19,21,22);1H
InChIKeyXQZCDUQNIORYGV-UHFFFAOYSA-N
MW464.31 g/mol
LogP2.81
Rot. Bonds8

About 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (PubChem CID 109471268) has the molecular formula C15H28F3IN4O and a molecular weight of 464.31 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
PubChem CID109471268
Molecular FormulaC15H28F3IN4O
Molecular Weight464.31 g/mol
Exact Mass464.13
IUPAC Name2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESCCN/C(=N\CCC(F)(F)F)NCCNC(=O)CC1CCCC1.I
InChIInChI=1S/C15H27F3N4O.HI/c1-2-19-14(21-8-7-15(16,17)18)22-10-9-20-13(23)11-12-5-3-4-6-12;/h12H,2-11H2,1H3,(H,20,23)(H2,19,21,22);1H
InChIKeyXQZCDUQNIORYGV-UHFFFAOYSA-N
XLogP2.81
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.31
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111152339
2-cyclopentyl-N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110941327
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclohexylacetamide
CID 111150491
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111179117
3-[[[2-[(2-cyclopentylacetyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942248
2-cyclopentyl-N-[2-[[N-ethyl-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl]acetamide
CID 110975345
2-cyclopentyl-N-[2-[[N'-[3-(cyclopropylmethoxy)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111391980
2-cyclopentyl-N-[2-[[N-ethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111688145
N-[2-[[N'-[2-(tert-butylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-cyclohexylacetamide;hydroiodide
CID 111385537
2-cyclopentyl-N-[2-[[N'-[3-(cyclopropylmethoxy)propyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide
CID 111391981
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-methyl-2-methylsulfanylpropyl)carbamimidoyl]amino]ethyl]acetamide
CID 111609942
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111929718

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (CID 109471268) is 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is CCN/C(=N\CCC(F)(F)F)NCCNC(=O)CC1CCCC1.I.
What is the InChIKey of 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The InChIKey is XQZCDUQNIORYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N4O.HI/c1-2-19-14(21-8-7-15(16,17)18)22-10-9-20-13(23)11-12-5-3-4-6-12;/h12H,2-11H2,1H3,(H,20,23)(H2,19,21,22);1H.
What are the key properties of 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide has a molecular weight of 464.31 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 109471268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).