3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide

C15H31IN4O — CID 109483048

IUPAC3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCCC(=O)N(C)C.I
InChIInChI=1S/C15H30N4O.HI/c1-6-7-8-9-10-13-19(5)15(16-2)17-12-11-14(20)18(3)4;/h6H,1,7-13H2,2-5H3,(H,16,17);1H
InChIKeyACHLUSABZJDFPR-UHFFFAOYSA-N
MW410.34 g/mol
LogP2.34
Rot. Bonds9

About 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide

3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide (PubChem CID 109483048) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide
PubChem CID109483048
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC Name3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCCC(=O)N(C)C.I
InChIInChI=1S/C15H30N4O.HI/c1-6-7-8-9-10-13-19(5)15(16-2)17-12-11-14(20)18(3)4;/h6H,1,7-13H2,2-5H3,(H,16,17);1H
InChIKeyACHLUSABZJDFPR-UHFFFAOYSA-N
XLogP2.34
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide (CID 109483048) is 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide is C=CCCCCCN(C)/C(=N/C)NCCC(=O)N(C)C.I.
What is the InChIKey of 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide?
The InChIKey is ACHLUSABZJDFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-6-7-8-9-10-13-19(5)15(16-2)17-12-11-14(20)18(3)4;/h6H,1,7-13H2,2-5H3,(H,16,17);1H.
What are the key properties of 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide?
3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 109483048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).