N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide

C11H23IN4O — CID 111030513

IUPACN-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
SMILESCCN(CC)/C(N)=N/CCNC(=O)C1CC1.I
InChIInChI=1S/C11H22N4O.HI/c1-3-15(4-2)11(12)14-8-7-13-10(16)9-5-6-9;/h9H,3-8H2,1-2H3,(H2,12,14)(H,13,16);1H
InChIKeyPVMZMAIQVMZXHU-UHFFFAOYSA-N
MW354.24 g/mol
LogP0.79
Rot. Bonds6

About N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide

N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide (PubChem CID 111030513) has the molecular formula C11H23IN4O and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
PubChem CID111030513
Molecular FormulaC11H23IN4O
Molecular Weight354.24 g/mol
Exact Mass354.09
IUPAC NameN-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
SMILESCCN(CC)/C(N)=N/CCNC(=O)C1CC1.I
InChIInChI=1S/C11H22N4O.HI/c1-3-15(4-2)11(12)14-8-7-13-10(16)9-5-6-9;/h9H,3-8H2,1-2H3,(H2,12,14)(H,13,16);1H
InChIKeyPVMZMAIQVMZXHU-UHFFFAOYSA-N
XLogP0.79
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
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-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
CID 115612306
N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111009577
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111030516
N-[2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111001078
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110988228
1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
CID 111062569
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075663
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091948
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110943948

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The IUPAC name of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide (CID 111030513) is N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide.
What is the SMILES notation for N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The canonical SMILES for N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide is CCN(CC)/C(N)=N/CCNC(=O)C1CC1.I.
What is the InChIKey of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
The InChIKey is PVMZMAIQVMZXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O.HI/c1-3-15(4-2)11(12)14-8-7-13-10(16)9-5-6-9;/h9H,3-8H2,1-2H3,(H2,12,14)(H,13,16);1H.
What are the key properties of N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide?
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide has a molecular weight of 354.24 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide is sourced from PubChem (CID 111030513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).