3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide

C14H30IN3O2 — CID 109497695

IUPAC3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/C)NCCCOCCOC.I
InChIInChI=1S/C14H29N3O2.HI/c1-5-6-7-10-17(3)14(15-2)16-9-8-11-19-13-12-18-4;/h5H,1,6-13H2,2-4H3,(H,15,16);1H
InChIKeyLNUIJTUWUKTJQO-UHFFFAOYSA-N
MW399.32 g/mol
LogP2.13
Rot. Bonds11

About 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide

3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109497695) has the molecular formula C14H30IN3O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109497695
Molecular FormulaC14H30IN3O2
Molecular Weight399.32 g/mol
Exact Mass399.14
IUPAC Name3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/C)NCCCOCCOC.I
InChIInChI=1S/C14H29N3O2.HI/c1-5-6-7-10-17(3)14(15-2)16-9-8-11-19-13-12-18-4;/h5H,1,6-13H2,2-4H3,(H,15,16);1H
InChIKeyLNUIJTUWUKTJQO-UHFFFAOYSA-N
XLogP2.13
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-Dimethyl-1-pent-4-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109495874
1,2-Dimethyl-1-pent-4-enyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109495875
3-Ethyl-1-methyl-1-pent-4-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109496992
3-Ethyl-1-methyl-1-pent-4-enyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109496993
1-Hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 109483152
1-Hept-6-enyl-3-[2-(2-methoxyethoxy)ethyl]-1,2-dimethylguanidine
CID 109483153
3-(3-Ethoxypropyl)-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483464
3-(3-Ethoxypropyl)-1-hept-6-enyl-1,2-dimethylguanidine
CID 109483465
3-[2-(2-Butoxyethoxy)ethyl]-1-hept-6-enyl-1,2-dimethylguanidine;hydroiodide
CID 109483548
3-Ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine;hydroiodide
CID 109483630
3-Ethyl-1-hept-6-enyl-2-[2-(2-methoxyethoxy)ethyl]-1-methylguanidine
CID 109483631
1-Hept-6-enyl-3-[3-(2-methoxyethoxy)propyl]-1,2-dimethylguanidine;hydroiodide
CID 109483724

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide (CID 109497695) is 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N/C)NCCCOCCOC.I.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is LNUIJTUWUKTJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2.HI/c1-5-6-7-10-17(3)14(15-2)16-9-8-11-19-13-12-18-4;/h5H,1,6-13H2,2-4H3,(H,15,16);1H.
What are the key properties of 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide?
3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 399.32 g/mol, XLogP of 2.13, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109497695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).