1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide

C12H29IN4 — CID 111836452

IUPAC1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCN(CC)CCC.I
InChIInChI=1S/C12H28N4.HI/c1-5-8-14-12(13-4)15-9-11-16(7-3)10-6-2;/h5-11H2,1-4H3,(H2,13,14,15);1H
InChIKeyCWWVAQXGTOWPFU-UHFFFAOYSA-N
MW356.30 g/mol
LogP1.91
Rot. Bonds8

About 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide

1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide (PubChem CID 111836452) has the molecular formula C12H29IN4 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide
PubChem CID111836452
Molecular FormulaC12H29IN4
Molecular Weight356.30 g/mol
Exact Mass356.14
IUPAC Name1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N\C)NCCN(CC)CCC.I
InChIInChI=1S/C12H28N4.HI/c1-5-8-14-12(13-4)15-9-11-16(7-3)10-6-2;/h5-11H2,1-4H3,(H2,13,14,15);1H
InChIKeyCWWVAQXGTOWPFU-UHFFFAOYSA-N
XLogP1.91
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 51.91
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-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111600549
1-[(2-chlorophenyl)methyl]-3-[2-[ethyl(propyl)amino]ethyl]-2-methylguanidine
CID 111835467
1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111839363
1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974949
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111225380
1-[2-(diethylamino)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111406484
1-[[2-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227870
1-[2-(diethylsulfamoyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763366
tert-butyl N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]-N-propylcarbamate;hydroiodide
CID 109391805
1-butyl-3-[2-[ethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111151966
1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 111869545
2-methyl-1-[4-[methyl(propan-2-yl)amino]butyl]-3-propylguanidine;hydroiodide
CID 111227154

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide (CID 111836452) is 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide is CCCN/C(=N\C)NCCN(CC)CCC.I.
What is the InChIKey of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide?
The InChIKey is CWWVAQXGTOWPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4.HI/c1-5-8-14-12(13-4)15-9-11-16(7-3)10-6-2;/h5-11H2,1-4H3,(H2,13,14,15);1H.
What are the key properties of 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide?
1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide has a molecular weight of 356.30 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(propyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111836452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).