1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

C13H31IN4 — CID 110912006

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCN(C(C)C)C(C)C.I
InChIInChI=1S/C13H30N4.HI/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6;/h10-12H,7-9H2,1-6H3,(H3,14,15,16);1H
InChIKeyCZTPWZSKRYFYGS-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.28
Rot. Bonds7

About 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 110912006) has the molecular formula C13H31IN4 and a molecular weight of 370.32 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID110912006
Molecular FormulaC13H31IN4
Molecular Weight370.32 g/mol
Exact Mass370.16
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCC(C)C/N=C(\N)NCCN(C(C)C)C(C)C.I
InChIInChI=1S/C13H30N4.HI/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6;/h10-12H,7-9H2,1-6H3,(H3,14,15,16);1H
InChIKeyCZTPWZSKRYFYGS-UHFFFAOYSA-N
XLogP2.28
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.28
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'}

Analyze 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

1-Ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471300
1-Ethyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471304
1-[2-[Di(propan-2-yl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778524
2-[2-[Methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111803167
2-[2-[Methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-propan-2-ylguanidine
CID 111803168
2-(2-Methylpropyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111803185
2-(2-Methylpropyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111803186
1-Ethyl-2-(2-methylpropyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111835600
2-Methyl-1-(3-methylbutan-2-yl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 112017753
1,3-Diethyl-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine
CID 53591928
4-methyl-N,N'-di(propan-2-yl)piperazine-1-carboximidamide
CID 20641656
N'-propan-2-ylpiperazine-1-carboximidamide
CID 54317721

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 110912006) is 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is CC(C)C/N=C(\N)NCCN(C(C)C)C(C)C.I.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is CZTPWZSKRYFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4.HI/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6;/h10-12H,7-9H2,1-6H3,(H3,14,15,16);1H.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 370.32 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110912006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).