4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide

C13H25IN4O — CID 111066146

IUPAC4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H24N4O.HI/c14-13(16-9-10-3-1-4-10)15-8-2-5-12(18)17-11-6-7-11;/h10-11H,1-9H2,(H,17,18)(H3,14,15,16);1H
InChIKeyURSCDEBERKJRKH-UHFFFAOYSA-N
MW380.27 g/mol
LogP1.37
Rot. Bonds7

About 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide

4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide (PubChem CID 111066146) has the molecular formula C13H25IN4O and a molecular weight of 380.27 g/mol. Its IUPAC name is 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide.

Molecular Properties

Compound Name4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
PubChem CID111066146
Molecular FormulaC13H25IN4O
Molecular Weight380.27 g/mol
Exact Mass380.11
IUPAC Name4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H24N4O.HI/c14-13(16-9-10-3-1-4-10)15-8-2-5-12(18)17-11-6-7-11;/h10-11H,1-9H2,(H,17,18)(H3,14,15,16);1H
InChIKeyURSCDEBERKJRKH-UHFFFAOYSA-N
XLogP1.37
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 51.37
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

4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide
CID 79401536
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
4-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclohexane-1-carboxamide
CID 79526623
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
propan-2-yl 3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037123
tert-butyl 4-[3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propyl]piperazine-1-carboxylate;hydroiodide
CID 111070901
2-(cyclobutylmethyl)-1-(3-oxo-3-piperidin-1-ylpropyl)guanidine
CID 111054677

Frequently Asked Questions

What is the IUPAC name of 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide?
The IUPAC name of 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide (CID 111066146) is 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide.
What is the SMILES notation for 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide?
The canonical SMILES for 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide is I.N/C(=N\CC1CCC1)NCCCC(=O)NC1CC1.
What is the InChIKey of 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide?
The InChIKey is URSCDEBERKJRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.HI/c14-13(16-9-10-3-1-4-10)15-8-2-5-12(18)17-11-6-7-11;/h10-11H,1-9H2,(H,17,18)(H3,14,15,16);1H.
What are the key properties of 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide?
4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide has a molecular weight of 380.27 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide is sourced from PubChem (CID 111066146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).