1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide

C11H22IN3O — CID 110031921

IUPAC1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide
SMILESCOC1(C/N=C(\N)N(C)C2CC2)CCC1.I
InChIInChI=1S/C11H21N3O.HI/c1-14(9-4-5-9)10(12)13-8-11(15-2)6-3-7-11;/h9H,3-8H2,1-2H3,(H2,12,13);1H
InChIKeyZONPQWVHYDINEE-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.58
Rot. Bonds4

About 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide (PubChem CID 110031921) has the molecular formula C11H22IN3O and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide
PubChem CID110031921
Molecular FormulaC11H22IN3O
Molecular Weight339.22 g/mol
Exact Mass339.08
IUPAC Name1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide
SMILESCOC1(C/N=C(\N)N(C)C2CC2)CCC1.I
InChIInChI=1S/C11H21N3O.HI/c1-14(9-4-5-9)10(12)13-8-11(15-2)6-3-7-11;/h9H,3-8H2,1-2H3,(H2,12,13);1H
InChIKeyZONPQWVHYDINEE-UHFFFAOYSA-N
XLogP1.58
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide (CID 110031921) is 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide is COC1(C/N=C(\N)N(C)C2CC2)CCC1.I.
What is the InChIKey of 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide?
The InChIKey is ZONPQWVHYDINEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.HI/c1-14(9-4-5-9)10(12)13-8-11(15-2)6-3-7-11;/h9H,3-8H2,1-2H3,(H2,12,13);1H.
What are the key properties of 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide has a molecular weight of 339.22 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1-methoxycyclobutyl)methyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110031921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).