3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

C14H29IN4O2 — CID 109381449

IUPAC3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
SMILESCCCNC(=O)CCN/C(=N\C)N(C)CC1CCOC1.I
InChIInChI=1S/C14H28N4O2.HI/c1-4-7-16-13(19)5-8-17-14(15-2)18(3)10-12-6-9-20-11-12;/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19);1H
InChIKeyYHEACPVOMPIWJF-UHFFFAOYSA-N
MW412.32 g/mol
LogP1.06
Rot. Bonds7

About 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide

3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (PubChem CID 109381449) has the molecular formula C14H29IN4O2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
PubChem CID109381449
Molecular FormulaC14H29IN4O2
Molecular Weight412.32 g/mol
Exact Mass412.13
IUPAC Name3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
SMILESCCCNC(=O)CCN/C(=N\C)N(C)CC1CCOC1.I
InChIInChI=1S/C14H28N4O2.HI/c1-4-7-16-13(19)5-8-17-14(15-2)18(3)10-12-6-9-20-11-12;/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19);1H
InChIKeyYHEACPVOMPIWJF-UHFFFAOYSA-N
XLogP1.06
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;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 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The IUPAC name of 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide (CID 109381449) is 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The canonical SMILES for 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is CCCNC(=O)CCN/C(=N\C)N(C)CC1CCOC1.I.
What is the InChIKey of 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
The InChIKey is YHEACPVOMPIWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2.HI/c1-4-7-16-13(19)5-8-17-14(15-2)18(3)10-12-6-9-20-11-12;/h12H,4-11H2,1-3H3,(H,15,17)(H,16,19);1H.
What are the key properties of 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide?
3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide has a molecular weight of 412.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide is sourced from PubChem (CID 109381449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).