N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

C10H21IN4O — CID 111027951

IUPACN-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESCC(=O)NCCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C10H20N4O.HI/c1-8(15)12-5-6-13-10(11)14-7-9-3-2-4-9;/h9H,2-7H2,1H3,(H,12,15)(H3,11,13,14);1H
InChIKeyZNTGQPDYKDZFNR-UHFFFAOYSA-N
MW340.21 g/mol
LogP0.44
Rot. Bonds5

About N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide

N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (PubChem CID 111027951) has the molecular formula C10H21IN4O and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
PubChem CID111027951
Molecular FormulaC10H21IN4O
Molecular Weight340.21 g/mol
Exact Mass340.08
IUPAC NameN-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
SMILESCC(=O)NCCN/C(N)=N/CC1CCC1.I
InChIInChI=1S/C10H20N4O.HI/c1-8(15)12-5-6-13-10(11)14-7-9-3-2-4-9;/h9H,2-7H2,1H3,(H,12,15)(H3,11,13,14);1H
InChIKeyZNTGQPDYKDZFNR-UHFFFAOYSA-N
XLogP0.44
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 50.44
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'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
2-(cyclobutylmethyl)-1-[2-(diethylsulfamoyl)ethyl]guanidine;hydroiodide
CID 111804893
propan-2-yl 3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037123
2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
CID 111030376
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111055724
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111042727
4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066146
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111096600
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-4-hydroxybenzamide
CID 111061701

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The IUPAC name of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide (CID 111027951) is N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide.
What is the SMILES notation for N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The canonical SMILES for N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is CC(=O)NCCN/C(N)=N/CC1CCC1.I.
What is the InChIKey of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
The InChIKey is ZNTGQPDYKDZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O.HI/c1-8(15)12-5-6-13-10(11)14-7-9-3-2-4-9;/h9H,2-7H2,1H3,(H,12,15)(H3,11,13,14);1H.
What are the key properties of N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide?
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide has a molecular weight of 340.21 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide is sourced from PubChem (CID 111027951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).