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

C13H28IN3O — CID 109498491

IUPAC3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\CCCOC)NCC.I
InChIInChI=1S/C13H27N3O.HI/c1-5-7-8-11-16(3)13(14-6-2)15-10-9-12-17-4;/h5H,1,6-12H2,2-4H3,(H,14,15);1H
InChIKeySVLINYCCWZZNFD-UHFFFAOYSA-N
MW369.29 g/mol
LogP2.50
Rot. Bonds9

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

3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109498491) has the molecular formula C13H28IN3O and a molecular weight of 369.29 g/mol. Its IUPAC name is 3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109498491
Molecular FormulaC13H28IN3O
Molecular Weight369.29 g/mol
Exact Mass369.13
IUPAC Name3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N\CCCOC)NCC.I
InChIInChI=1S/C13H27N3O.HI/c1-5-7-8-11-16(3)13(14-6-2)15-10-9-12-17-4;/h5H,1,6-12H2,2-4H3,(H,14,15);1H
InChIKeySVLINYCCWZZNFD-UHFFFAOYSA-N
XLogP2.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 52.50
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
3-Ethyl-1-hept-6-enyl-2-(5-methoxypentyl)-1-methylguanidine;hydroiodide
CID 109483164
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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide (CID 109498491) is 3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N\CCCOC)NCC.I.
What is the InChIKey of 3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is SVLINYCCWZZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.HI/c1-5-7-8-11-16(3)13(14-6-2)15-10-9-12-17-4;/h5H,1,6-12H2,2-4H3,(H,14,15);1H.
What are the key properties of 3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide?
3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 369.29 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-methoxypropyl)-1-methyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109498491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).