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

C17H35IN4O — CID 109482968

IUPACN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCNC(=O)C(C)(C)C.I
InChIInChI=1S/C17H34N4O.HI/c1-7-8-9-10-11-14-21(6)16(18-5)20-13-12-19-15(22)17(2,3)4;/h7H,1,8-14H2,2-6H3,(H,18,20)(H,19,22);1H
InChIKeyNWYRXUUJFSWAMI-UHFFFAOYSA-N
MW438.40 g/mol
LogP3.02
Rot. Bonds9

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

N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 109482968) has the molecular formula C17H35IN4O and a molecular weight of 438.40 g/mol. Its IUPAC name is N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound NameN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
PubChem CID109482968
Molecular FormulaC17H35IN4O
Molecular Weight438.40 g/mol
Exact Mass438.19
IUPAC NameN-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N\C)NCCNC(=O)C(C)(C)C.I
InChIInChI=1S/C17H34N4O.HI/c1-7-8-9-10-11-14-21(6)16(18-5)20-13-12-19-15(22)17(2,3)4;/h7H,1,8-14H2,2-6H3,(H,18,20)(H,19,22);1H
InChIKeyNWYRXUUJFSWAMI-UHFFFAOYSA-N
XLogP3.02
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 53.02
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-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide (CID 109482968) is N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is C=CCCCCCN(C)/C(=N\C)NCCNC(=O)C(C)(C)C.I.
What is the InChIKey of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is NWYRXUUJFSWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.HI/c1-7-8-9-10-11-14-21(6)16(18-5)20-13-12-19-15(22)17(2,3)4;/h7H,1,8-14H2,2-6H3,(H,18,20)(H,19,22);1H.
What are the key properties of N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide?
N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 438.40 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 109482968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).