2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide

C15H29IN4 — CID 110925216

IUPAC2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C(C)C)N(CC=C)CC=C.I
InChIInChI=1S/C15H28N4.HI/c1-6-9-17-15(16)18-12-14(13(4)5)19(10-7-2)11-8-3;/h6-8,13-14H,1-3,9-12H2,4-5H3,(H3,16,17,18);1H
InChIKeyNEIHRMYNGBLWOT-UHFFFAOYSA-N
MW392.33 g/mol
LogP2.39
Rot. Bonds10

About 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide

2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide (PubChem CID 110925216) has the molecular formula C15H29IN4 and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide
PubChem CID110925216
Molecular FormulaC15H29IN4
Molecular Weight392.33 g/mol
Exact Mass392.14
IUPAC Name2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(N)=N/CC(C(C)C)N(CC=C)CC=C.I
InChIInChI=1S/C15H28N4.HI/c1-6-9-17-15(16)18-12-14(13(4)5)19(10-7-2)11-8-3;/h6-8,13-14H,1-3,9-12H2,4-5H3,(H3,16,17,18);1H
InChIKeyNEIHRMYNGBLWOT-UHFFFAOYSA-N
XLogP2.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;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 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide (CID 110925216) is 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide is C=CCN/C(N)=N/CC(C(C)C)N(CC=C)CC=C.I.
What is the InChIKey of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide?
The InChIKey is NEIHRMYNGBLWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4.HI/c1-6-9-17-15(16)18-12-14(13(4)5)19(10-7-2)11-8-3;/h6-8,13-14H,1-3,9-12H2,4-5H3,(H3,16,17,18);1H.
What are the key properties of 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide?
2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide has a molecular weight of 392.33 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(prop-2-enyl)amino]-3-methylbutyl]-1-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 110925216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).