N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide

C17H35IN4O — CID 109483052

IUPACN-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCCC(=O)NC(C)CC.I
InChIInChI=1S/C17H34N4O.HI/c1-6-8-9-10-11-14-21(5)17(18-4)19-13-12-16(22)20-15(3)7-2;/h6,15H,1,7-14H2,2-5H3,(H,18,19)(H,20,22);1H
InChIKeyXEYPDLBXVWUUGF-UHFFFAOYSA-N
MW438.40 g/mol
LogP3.16
Rot. Bonds11

About N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide

N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide (PubChem CID 109483052) has the molecular formula C17H35IN4O and a molecular weight of 438.40 g/mol. Its IUPAC name is N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
PubChem CID109483052
Molecular FormulaC17H35IN4O
Molecular Weight438.40 g/mol
Exact Mass438.19
IUPAC NameN-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide
SMILESC=CCCCCCN(C)/C(=N/C)NCCC(=O)NC(C)CC.I
InChIInChI=1S/C17H34N4O.HI/c1-6-8-9-10-11-14-21(5)17(18-4)19-13-12-16(22)20-15(3)7-2;/h6,15H,1,7-14H2,2-5H3,(H,18,19)(H,20,22);1H
InChIKeyXEYPDLBXVWUUGF-UHFFFAOYSA-N
XLogP3.16
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 53.16
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'}

Analyze N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide?
The IUPAC name of N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide (CID 109483052) is N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide.
What is the SMILES notation for N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide?
The canonical SMILES for N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide is C=CCCCCCN(C)/C(=N/C)NCCC(=O)NC(C)CC.I.
What is the InChIKey of N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide?
The InChIKey is XEYPDLBXVWUUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.HI/c1-6-8-9-10-11-14-21(5)17(18-4)19-13-12-16(22)20-15(3)7-2;/h6,15H,1,7-14H2,2-5H3,(H,18,19)(H,20,22);1H.
What are the key properties of N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide?
N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide has a molecular weight of 438.40 g/mol, XLogP of 3.16, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]propanamide;hydroiodide is sourced from PubChem (CID 109483052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).