1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide

C11H26IN3O — CID 84584169

IUPAC1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
SMILESC/N=C(/NCCCOCC(C)C)N(C)C.I
InChIInChI=1S/C11H25N3O.HI/c1-10(2)9-15-8-6-7-13-11(12-3)14(4)5;/h10H,6-9H2,1-5H3,(H,12,13);1H
InChIKeyUHOJEFPSEPLWJW-UHFFFAOYSA-N
MW343.25 g/mol
LogP1.80
Rot. Bonds6

About 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide

1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide (PubChem CID 84584169) has the molecular formula C11H26IN3O and a molecular weight of 343.25 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
PubChem CID84584169
Molecular FormulaC11H26IN3O
Molecular Weight343.25 g/mol
Exact Mass343.11
IUPAC Name1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
SMILESC/N=C(/NCCCOCC(C)C)N(C)C.I
InChIInChI=1S/C11H25N3O.HI/c1-10(2)9-15-8-6-7-13-11(12-3)14(4)5;/h10H,6-9H2,1-5H3,(H,12,13);1H
InChIKeyUHOJEFPSEPLWJW-UHFFFAOYSA-N
XLogP1.80
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-butoxypropyl)-1,1,2-trimethylguanidine;hydroiodide
CID 111239932
N,N-dimethyl-3-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111401212
2-benzyl-1,1-dimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111035695
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111692531
1-butyl-1,2-dimethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111159173
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-propylguanidine
CID 111225563
1-hexyl-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111161882
1-(2-cyclopropylethyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111604861
1-cyclopropyl-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 75511893
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401861
1,1,2-trimethyl-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 75421270
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401641

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide (CID 84584169) is 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide is C/N=C(/NCCCOCC(C)C)N(C)C.I.
What is the InChIKey of 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide?
The InChIKey is UHOJEFPSEPLWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O.HI/c1-10(2)9-15-8-6-7-13-11(12-3)14(4)5;/h10H,6-9H2,1-5H3,(H,12,13);1H.
What are the key properties of 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide?
1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide has a molecular weight of 343.25 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 84584169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).