N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide

C12H25IN4O — CID 111054612

IUPACN,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCC(=O)N(CC)CC.I
InChIInChI=1S/C12H24N4O.HI/c1-5-16(6-2)11(17)7-8-14-12(13)15-9-10(3)4;/h3,5-9H2,1-2,4H3,(H3,13,14,15);1H
InChIKeyQYNBYDCCVLOHRG-UHFFFAOYSA-N
MW368.26 g/mol
LogP1.34
Rot. Bonds7

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

N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide (PubChem CID 111054612) has the molecular formula C12H25IN4O and a molecular weight of 368.26 g/mol. Its IUPAC name is N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
PubChem CID111054612
Molecular FormulaC12H25IN4O
Molecular Weight368.26 g/mol
Exact Mass368.11
IUPAC NameN,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCC(=O)N(CC)CC.I
InChIInChI=1S/C12H24N4O.HI/c1-5-16(6-2)11(17)7-8-14-12(13)15-9-10(3)4;/h3,5-9H2,1-2,4H3,(H3,13,14,15);1H
InChIKeyQYNBYDCCVLOHRG-UHFFFAOYSA-N
XLogP1.34
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
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

3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077930
1-[3-(diethylamino)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025405
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111043542
1-[3-(diethylamino)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111025406
2-(2-methylprop-2-enyl)-1-octylguanidine;hydroiodide
CID 109394322
2-methyl-N-[3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propyl]propanamide;hydroiodide
CID 109467818
1-[2-[ethyl(propyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111600598
N-cyclohexyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075498
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057483
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
N-benzyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111092317
1-[3-(dipropylamino)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111077469

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide?
The IUPAC name of N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide (CID 111054612) is N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide.
What is the SMILES notation for N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide?
The canonical SMILES for N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide is C=C(C)C/N=C(\N)NCCC(=O)N(CC)CC.I.
What is the InChIKey of N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide?
The InChIKey is QYNBYDCCVLOHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O.HI/c1-5-16(6-2)11(17)7-8-14-12(13)15-9-10(3)4;/h3,5-9H2,1-2,4H3,(H3,13,14,15);1H.
What are the key properties of N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide?
N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide has a molecular weight of 368.26 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]propanamide;hydroiodide is sourced from PubChem (CID 111054612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).