2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide

C15H31IN4O — CID 109483238

IUPAC2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(=O)NCCC.I
InChIInChI=1S/C15H30N4O.HI/c1-5-7-8-9-10-12-19(4)15(16-3)18-13-14(20)17-11-6-2;/h5H,1,6-13H2,2-4H3,(H,16,18)(H,17,20);1H
InChIKeyCDZYQVIJBKMOGY-UHFFFAOYSA-N
MW410.34 g/mol
LogP2.38
Rot. Bonds10

About 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide

2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide (PubChem CID 109483238) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide
PubChem CID109483238
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC Name2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(=O)NCCC.I
InChIInChI=1S/C15H30N4O.HI/c1-5-7-8-9-10-12-19(4)15(16-3)18-13-14(20)17-11-6-2;/h5H,1,6-13H2,2-4H3,(H,16,18)(H,17,20);1H
InChIKeyCDZYQVIJBKMOGY-UHFFFAOYSA-N
XLogP2.38
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
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 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide (CID 109483238) is 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide is C=CCCCCCN(C)/C(=N/C)NCC(=O)NCCC.I.
What is the InChIKey of 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide?
The InChIKey is CDZYQVIJBKMOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-5-7-8-9-10-12-19(4)15(16-3)18-13-14(20)17-11-6-2;/h5H,1,6-13H2,2-4H3,(H,16,18)(H,17,20);1H.
What are the key properties of 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide?
2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 109483238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).