1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide

C10H22IN3O2 — CID 110033082

IUPAC1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCC1(C)OCCO1.I
InChIInChI=1S/C10H21N3O2.HI/c1-3-5-12-9(11)13-6-4-10(2)14-7-8-15-10;/h3-8H2,1-2H3,(H3,11,12,13);1H
InChIKeyFGBKNMSYUNPLDP-UHFFFAOYSA-N
MW343.21 g/mol
LogP1.07
Rot. Bonds5

About 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide

1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide (PubChem CID 110033082) has the molecular formula C10H22IN3O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide
PubChem CID110033082
Molecular FormulaC10H22IN3O2
Molecular Weight343.21 g/mol
Exact Mass343.08
IUPAC Name1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCC1(C)OCCO1.I
InChIInChI=1S/C10H21N3O2.HI/c1-3-5-12-9(11)13-6-4-10(2)14-7-8-15-10;/h3-8H2,1-2H3,(H3,11,12,13);1H
InChIKeyFGBKNMSYUNPLDP-UHFFFAOYSA-N
XLogP1.07
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1,2-Dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
CID 86790885
1,2-Dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
CID 86790886
1-Butyl-2-methyl-3-[3-(oxolan-3-yloxy)propyl]guanidine;hydroiodide
CID 109675870
1-Butyl-3-ethyl-2-[3-(oxolan-3-yloxy)propyl]guanidine;hydroiodide
CID 109677132
1-Butyl-2-(1,4,8-trioxaspiro[4.5]decan-3-ylmethyl)guanidine;hydroiodide
CID 109984689
1-Butan-2-yl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
CID 110032965
1-Butan-2-yl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
CID 110032966
1-Cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
CID 110032967
1-Cyclopropyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
CID 110032968
1,3-Diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
CID 110032971
1,3-Diethyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine
CID 110032972
1-Cyclopropyl-2-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]guanidine;hydroiodide
CID 110032977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide (CID 110033082) is 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide is CCC/N=C(\N)NCCC1(C)OCCO1.I.
What is the InChIKey of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
The InChIKey is FGBKNMSYUNPLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.HI/c1-3-5-12-9(11)13-6-4-10(2)14-7-8-15-10;/h3-8H2,1-2H3,(H3,11,12,13);1H.
What are the key properties of 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide has a molecular weight of 343.21 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-propylguanidine;hydroiodide is sourced from PubChem (CID 110033082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).