2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide

C12H24IN3O — CID 111478634

IUPAC2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(N)=N/CC1CCCO1.I
InChIInChI=1S/C12H23N3O.HI/c1-2-4-9-7-11(9)15-12(13)14-8-10-5-3-6-16-10;/h9-11H,2-8H2,1H3,(H3,13,14,15);1H
InChIKeyZEDLRAQFNBARLU-UHFFFAOYSA-N
MW353.25 g/mol
LogP1.88
Rot. Bonds5

About 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide

2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide (PubChem CID 111478634) has the molecular formula C12H24IN3O and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide
PubChem CID111478634
Molecular FormulaC12H24IN3O
Molecular Weight353.25 g/mol
Exact Mass353.10
IUPAC Name2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide
SMILESCCCC1CC1N/C(N)=N/CC1CCCO1.I
InChIInChI=1S/C12H23N3O.HI/c1-2-4-9-7-11(9)15-12(13)14-8-10-5-3-6-16-10;/h9-11H,2-8H2,1H3,(H3,13,14,15);1H
InChIKeyZEDLRAQFNBARLU-UHFFFAOYSA-N
XLogP1.88
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 51.88
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'}

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Related Compounds

1-[(1R,2S)-2-cyclobutylcyclopropyl]-2-(oxolan-2-ylmethyl)guanidine
CID 122126043
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822778
2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125944
2-hexyl-1-(2-propylcyclopropyl)guanidine
CID 111822819
1-(3,3-difluorocyclobutyl)-2-(oxolan-2-ylmethyl)guanidine
CID 120514514
2-(oxolan-2-ylmethyl)-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109394149
1-[4-(4-ethylpiperazin-1-yl)butyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110915259
2-amino-N-(2-propylcyclopropyl)cycloheptane-1-carboxamide
CID 113267243
N-[3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752321
1-cyclopentyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110991164
1-(3,4-dihydro-2H-chromen-4-yl)-2-(oxolan-2-ylmethyl)guanidine
CID 110913382
N'-[2-(oxolan-2-yl)ethyl]butanimidamide
CID 63177994

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide (CID 111478634) is 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide is CCCC1CC1N/C(N)=N/CC1CCCO1.I.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide?
The InChIKey is ZEDLRAQFNBARLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.HI/c1-2-4-9-7-11(9)15-12(13)14-8-10-5-3-6-16-10;/h9-11H,2-8H2,1H3,(H3,13,14,15);1H.
What are the key properties of 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide?
2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide has a molecular weight of 353.25 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111478634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).