1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide

C12H26IN3O — CID 110018747

IUPAC1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
SMILESCN(C)C(=NCCC1CCCCO1)N(C)C.I
InChIInChI=1S/C12H25N3O.HI/c1-14(2)12(15(3)4)13-9-8-11-7-5-6-10-16-11;/h11H,5-10H2,1-4H3;1H
InChIKeyUFTTWEARSOUODH-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.04
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide

1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 110018747) has the molecular formula C12H26IN3O and a molecular weight of 355.26 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID110018747
Molecular FormulaC12H26IN3O
Molecular Weight355.26 g/mol
Exact Mass355.11
IUPAC Name1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
SMILESCN(C)C(=NCCC1CCCCO1)N(C)C.I
InChIInChI=1S/C12H25N3O.HI/c1-14(2)12(15(3)4)13-9-8-11-7-5-6-10-16-11;/h11H,5-10H2,1-4H3;1H
InChIKeyUFTTWEARSOUODH-UHFFFAOYSA-N
XLogP2.04
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
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'}

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Related Compounds

1,1,3,3-tetramethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111036016
N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide
CID 106000913
1-tert-butyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018771
N'-[2-(oxan-2-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 110018672
N'-[2-(oxan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 110018757
1-(3-methylbutyl)-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018751
2-(3-cyclohexylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111062815
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
CID 110604883
N'-[2-(oxolan-2-yl)ethyl]butanimidamide
CID 63177994
N'-[2-(oxan-2-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110018690
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
N-[bis(dimethylamino)-[2-(oxan-2-yl)ethyl]silyl]-N-methylmethanamine
CID 19876452

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide (CID 110018747) is 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide is CN(C)C(=NCCC1CCCCO1)N(C)C.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is UFTTWEARSOUODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.HI/c1-14(2)12(15(3)4)13-9-8-11-7-5-6-10-16-11;/h11H,5-10H2,1-4H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 355.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110018747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).