3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

C11H23IN4O — CID 111077930

IUPAC3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCC(=O)NCCC.I
InChIInChI=1S/C11H22N4O.HI/c1-4-6-13-10(16)5-7-14-11(12)15-8-9(2)3;/h2,4-8H2,1,3H3,(H,13,16)(H3,12,14,15);1H
InChIKeyVGHQUVBQNJKEEM-UHFFFAOYSA-N
MW354.24 g/mol
LogP1.00
Rot. Bonds7

About 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (PubChem CID 111077930) has the molecular formula C11H23IN4O and a molecular weight of 354.24 g/mol. Its IUPAC name is 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
PubChem CID111077930
Molecular FormulaC11H23IN4O
Molecular Weight354.24 g/mol
Exact Mass354.09
IUPAC Name3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCC(=O)NCCC.I
InChIInChI=1S/C11H22N4O.HI/c1-4-6-13-10(16)5-7-14-11(12)15-8-9(2)3;/h2,4-8H2,1,3H3,(H,13,16)(H3,12,14,15);1H
InChIKeyVGHQUVBQNJKEEM-UHFFFAOYSA-N
XLogP1.00
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 51.00
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111054612
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111043542
N-benzyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111092317
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
CID 111077863
N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075498
2-(2-methylprop-2-enyl)-1-octylguanidine;hydroiodide
CID 109394322
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111032129
2-[[amino(propylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111036987
2-[[amino(propylamino)methylidene]amino]acetic acid
CID 87703719
2-methyl-N-[3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propyl]propanamide;hydroiodide
CID 109467818
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057483
1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111600598

Frequently Asked Questions

What is the IUPAC name of 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The IUPAC name of 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (CID 111077930) is 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The canonical SMILES for 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is C=C(C)C/N=C(\N)NCCC(=O)NCCC.I.
What is the InChIKey of 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The InChIKey is VGHQUVBQNJKEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O.HI/c1-4-6-13-10(16)5-7-14-11(12)15-8-9(2)3;/h2,4-8H2,1,3H3,(H,13,16)(H3,12,14,15);1H.
What are the key properties of 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide has a molecular weight of 354.24 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is sourced from PubChem (CID 111077930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).