1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide

C9H20IN3 — CID 130618823

IUPAC1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NC(C)(C)C.I
InChIInChI=1S/C9H19N3.HI/c1-6-7-11-8(10-5)12-9(2,3)4;/h6H,1,7H2,2-5H3,(H2,10,11,12);1H
InChIKeyFOOFJTPICVQXOK-UHFFFAOYSA-N
MW297.18 g/mol
LogP1.75
Rot. Bonds2

About 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide

1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide (PubChem CID 130618823) has the molecular formula C9H20IN3 and a molecular weight of 297.18 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide
PubChem CID130618823
Molecular FormulaC9H20IN3
Molecular Weight297.18 g/mol
Exact Mass297.07
IUPAC Name1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NC(C)(C)C.I
InChIInChI=1S/C9H19N3.HI/c1-6-7-11-8(10-5)12-9(2,3)4;/h6H,1,7H2,2-5H3,(H2,10,11,12);1H
InChIKeyFOOFJTPICVQXOK-UHFFFAOYSA-N
XLogP1.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-N'-tert-butyl-1-N-prop-2-enylethene-1,1-diamine
CID 118258790
1-(2-tert-butylsulfinylethyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 111826455
1-tert-butyl-3-(3,3-dimethylbutyl)-2-methylguanidine;hydroiodide
CID 110966837
1-(5,5-dimethylhexyl)-2-methyl-3-prop-2-enylguanidine
CID 110982625
2-methyl-1-prop-2-enyl-3-prop-2-ynylguanidine
CID 130692700
N-tert-butyl-2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110965911
2-methyl-1-prop-2-enyl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]guanidine;hydroiodide
CID 119140570
2-methyl-1-[(1-methylcyclopentyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111759252
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 119116270
1-(5-methoxypentyl)-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110980690
tert-butyl N-ethyl-N-[2-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 110982138
2-methyl-1-[(2-methylcyclohexyl)methyl]-3-prop-2-enylguanidine
CID 110980059

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide (CID 130618823) is 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is FOOFJTPICVQXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3.HI/c1-6-7-11-8(10-5)12-9(2,3)4;/h6H,1,7H2,2-5H3,(H2,10,11,12);1H.
What are the key properties of 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide?
1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 297.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 130618823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).