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

C13H24F3IN4O — CID 109474888

IUPACN-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)NCC(=O)NC1CCCCC1.I
InChIInChI=1S/C13H23F3N4O.HI/c1-17-12(18-8-7-13(14,15)16)19-9-11(21)20-10-5-3-2-4-6-10;/h10H,2-9H2,1H3,(H,20,21)(H2,17,18,19);1H
InChIKeyDPDVHUBJFFHMQX-UHFFFAOYSA-N
MW436.26 g/mol
LogP2.17
Rot. Bonds5

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

N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide (PubChem CID 109474888) has the molecular formula C13H24F3IN4O and a molecular weight of 436.26 g/mol. Its IUPAC name is N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide
PubChem CID109474888
Molecular FormulaC13H24F3IN4O
Molecular Weight436.26 g/mol
Exact Mass436.09
IUPAC NameN-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)NCC(=O)NC1CCCCC1.I
InChIInChI=1S/C13H23F3N4O.HI/c1-17-12(18-8-7-13(14,15)16)19-9-11(21)20-10-5-3-2-4-6-10;/h10H,2-9H2,1H3,(H,20,21)(H2,17,18,19);1H
InChIKeyDPDVHUBJFFHMQX-UHFFFAOYSA-N
XLogP2.17
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376718
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109376888
N-cyclohexyl-2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376889
N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377252
2-[[butylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109377360
N-cyclohexyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 109377606
N-cyclohexyl-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
CID 109377607
2-[[(cyclopentylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109378106
2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109378633
2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]-N-propylacetamide
CID 109378634
2-[[ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]-N-propylacetamide;hydroiodide
CID 109379125
N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide;hydroiodide
CID 109471872

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide?
The IUPAC name of N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide (CID 109474888) is N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide.
What is the SMILES notation for N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide?
The canonical SMILES for N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide is C/N=C(\NCCC(F)(F)F)NCC(=O)NC1CCCCC1.I.
What is the InChIKey of N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide?
The InChIKey is DPDVHUBJFFHMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O.HI/c1-17-12(18-8-7-13(14,15)16)19-9-11(21)20-10-5-3-2-4-6-10;/h10H,2-9H2,1H3,(H,20,21)(H2,17,18,19);1H.
What are the key properties of N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide?
N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide has a molecular weight of 436.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]acetamide;hydroiodide is sourced from PubChem (CID 109474888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).