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

C16H33IN4O — CID 109482960

IUPACN-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(=O)NC(C)(C)C.I
InChIInChI=1S/C16H32N4O.HI/c1-7-8-9-10-11-12-20(6)15(17-5)18-13-14(21)19-16(2,3)4;/h7H,1,8-13H2,2-6H3,(H,17,18)(H,19,21);1H
InChIKeyRCUVGJCMQHPHOG-UHFFFAOYSA-N
MW424.37 g/mol
LogP2.77
Rot. Bonds8

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

N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide (PubChem CID 109482960) has the molecular formula C16H33IN4O and a molecular weight of 424.37 g/mol. Its IUPAC name is N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide.

Molecular Properties

Compound NameN-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
PubChem CID109482960
Molecular FormulaC16H33IN4O
Molecular Weight424.37 g/mol
Exact Mass424.17
IUPAC NameN-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCC(=O)NC(C)(C)C.I
InChIInChI=1S/C16H32N4O.HI/c1-7-8-9-10-11-12-20(6)15(17-5)18-13-14(21)19-16(2,3)4;/h7H,1,8-13H2,2-6H3,(H,17,18)(H,19,21);1H
InChIKeyRCUVGJCMQHPHOG-UHFFFAOYSA-N
XLogP2.77
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 52.77
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 N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide?
The IUPAC name of N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide (CID 109482960) is N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide.
What is the SMILES notation for N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide?
The canonical SMILES for N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide is C=CCCCCCN(C)/C(=N/C)NCC(=O)NC(C)(C)C.I.
What is the InChIKey of N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide?
The InChIKey is RCUVGJCMQHPHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O.HI/c1-7-8-9-10-11-12-20(6)15(17-5)18-13-14(21)19-16(2,3)4;/h7H,1,8-13H2,2-6H3,(H,17,18)(H,19,21);1H.
What are the key properties of N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide?
N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide has a molecular weight of 424.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]acetamide;hydroiodide is sourced from PubChem (CID 109482960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).