1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide

C13H29IN4O — CID 110031536

IUPAC1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide
SMILESCCOC(CCN(C)C)C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C13H28N4O.HI/c1-5-18-12(8-9-16(2)3)10-15-13(14)17(4)11-6-7-11;/h11-12H,5-10H2,1-4H3,(H2,14,15);1H
InChIKeySFCAHRONMKCOSF-UHFFFAOYSA-N
MW384.31 g/mol
LogP1.37
Rot. Bonds8

About 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide (PubChem CID 110031536) has the molecular formula C13H29IN4O and a molecular weight of 384.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide
PubChem CID110031536
Molecular FormulaC13H29IN4O
Molecular Weight384.31 g/mol
Exact Mass384.14
IUPAC Name1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide
SMILESCCOC(CCN(C)C)C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C13H28N4O.HI/c1-5-18-12(8-9-16(2)3)10-15-13(14)17(4)11-6-7-11;/h11-12H,5-10H2,1-4H3,(H2,14,15);1H
InChIKeySFCAHRONMKCOSF-UHFFFAOYSA-N
XLogP1.37
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide (CID 110031536) is 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide is CCOC(CCN(C)C)C/N=C(\N)N(C)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide?
The InChIKey is SFCAHRONMKCOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O.HI/c1-5-18-12(8-9-16(2)3)10-15-13(14)17(4)11-6-7-11;/h11-12H,5-10H2,1-4H3,(H2,14,15);1H.
What are the key properties of 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide has a molecular weight of 384.31 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110031536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).