2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide

C14H30IN3O — CID 109498977

IUPAC2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\CCCOCC)NCC.I
InChIInChI=1S/C14H29N3O.HI/c1-5-8-9-12-17(4)14(15-6-2)16-11-10-13-18-7-3;/h5H,1,6-13H2,2-4H3,(H,15,16);1H
InChIKeyWXRPRSKPIMFYQI-UHFFFAOYSA-N
MW383.32 g/mol
LogP2.89
Rot. Bonds10

About 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide

2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109498977) has the molecular formula C14H30IN3O and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109498977
Molecular FormulaC14H30IN3O
Molecular Weight383.32 g/mol
Exact Mass383.14
IUPAC Name2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\CCCOCC)NCC.I
InChIInChI=1S/C14H29N3O.HI/c1-5-8-9-12-17(4)14(15-6-2)16-11-10-13-18-7-3;/h5H,1,6-13H2,2-4H3,(H,15,16);1H
InChIKeyWXRPRSKPIMFYQI-UHFFFAOYSA-N
XLogP2.89
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.89
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Hept-6-enyl-1,2-dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109482908
1-Hept-6-enyl-1,2-dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109482909
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-[(Z)-5-methoxypent-2-enyl]-2-methyl-3-pent-4-enylguanidine
CID 169614775
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine;hydroiodide
CID 109483046
2-(2-Ethoxyethyl)-3-ethyl-1-hept-6-enyl-1-methylguanidine
CID 109483047
1-Hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 109483174
1-Hept-6-enyl-1,2-dimethyl-3-(3-propan-2-yloxypropyl)guanidine
CID 109483175
1-Hept-6-enyl-3-(2-methoxyethyl)-1,2-dimethylguanidine;hydroiodide
CID 109483196

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide (CID 109498977) is 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N\CCCOCC)NCC.I.
What is the InChIKey of 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is WXRPRSKPIMFYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.HI/c1-5-8-9-12-17(4)14(15-6-2)16-11-10-13-18-7-3;/h5H,1,6-13H2,2-4H3,(H,15,16);1H.
What are the key properties of 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide?
2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 383.32 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109498977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).