N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide

C13H27IN4O2 — CID 111895894

IUPACN-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
SMILESCCOCCN/C(=N\C)NCCCC(=O)NC1CC1.I
InChIInChI=1S/C13H26N4O2.HI/c1-3-19-10-9-16-13(14-2)15-8-4-5-12(18)17-11-6-7-11;/h11H,3-10H2,1-2H3,(H,17,18)(H2,14,15,16);1H
InChIKeyOYZLKLCPTBKQQI-UHFFFAOYSA-N
MW398.29 g/mol
LogP0.86
Rot. Bonds9

About N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide

N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide (PubChem CID 111895894) has the molecular formula C13H27IN4O2 and a molecular weight of 398.29 g/mol. Its IUPAC name is N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
PubChem CID111895894
Molecular FormulaC13H27IN4O2
Molecular Weight398.29 g/mol
Exact Mass398.12
IUPAC NameN-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
SMILESCCOCCN/C(=N\C)NCCCC(=O)NC1CC1.I
InChIInChI=1S/C13H26N4O2.HI/c1-3-19-10-9-16-13(14-2)15-8-4-5-12(18)17-11-6-7-11;/h11H,3-10H2,1-2H3,(H,17,18)(H2,14,15,16);1H
InChIKeyOYZLKLCPTBKQQI-UHFFFAOYSA-N
XLogP0.86
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-cyclopropyl-4-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111222561
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736
N-cyclopropyl-4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111891245
1-(4-ethoxybutyl)-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111895134
1-(2-ethoxyethyl)-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255944
4-[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111947474
N-cyclopropyl-4-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]butanamide
CID 111002059
N-cyclopropyl-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide
CID 111125811
N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide
CID 111204664
N-cyclopropyl-4-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111691442
N-cyclopropyl-4-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111135364
N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111894403

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide?
The IUPAC name of N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide (CID 111895894) is N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide.
What is the SMILES notation for N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide?
The canonical SMILES for N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide is CCOCCN/C(=N\C)NCCCC(=O)NC1CC1.I.
What is the InChIKey of N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide?
The InChIKey is OYZLKLCPTBKQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.HI/c1-3-19-10-9-16-13(14-2)15-8-4-5-12(18)17-11-6-7-11;/h11H,3-10H2,1-2H3,(H,17,18)(H2,14,15,16);1H.
What are the key properties of N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide?
N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide has a molecular weight of 398.29 g/mol, XLogP of 0.86, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide is sourced from PubChem (CID 111895894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).