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

C13H29IN4 — CID 111026324

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCN(C(C)C)C(C)C.I
InChIInChI=1S/C13H28N4.HI/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6;/h11-12H,1,7-9H2,2-6H3,(H3,14,15,16);1H
InChIKeyQGXCXTUFLOSMMJ-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.20
Rot. Bonds7

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

1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 111026324) has the molecular formula C13H29IN4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID111026324
Molecular FormulaC13H29IN4
Molecular Weight368.31 g/mol
Exact Mass368.14
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)C/N=C(\N)NCCN(C(C)C)C(C)C.I
InChIInChI=1S/C13H28N4.HI/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6;/h11-12H,1,7-9H2,2-6H3,(H3,14,15,16);1H
InChIKeyQGXCXTUFLOSMMJ-UHFFFAOYSA-N
XLogP2.20
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.20
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'}

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Related Compounds

2-(2-Methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111803219
2-(2-Methylprop-2-enyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111803220
1-(2-Aminoethyl)-2-(3-methylbut-2-enyl)guanidine
CID 24879370
2-[2-Methyl-2-(4-methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 54732009
2-[2-(4-Methylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 75482091
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
CID 100673187
1-[2-[Di(propan-2-yl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110911889
2-[2-(Diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110911998
2-[2-[Di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide
CID 110912001
1-[2-[Di(propan-2-yl)amino]ethyl]-2-propylguanidine;hydroiodide
CID 110912002
2-[2-[Di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 110912003
1-[2-[Di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912006

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 111026324) is 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(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-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is QGXCXTUFLOSMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.HI/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6;/h11-12H,1,7-9H2,2-6H3,(H3,14,15,16);1H.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 368.31 g/mol, XLogP of 2.20, 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-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 111026324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).