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

C12H24IN3O — CID 110030510

IUPAC1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CC1(O)CCCCC1)C1CC1.I
InChIInChI=1S/C12H23N3O.HI/c1-15(10-5-6-10)11(13)14-9-12(16)7-3-2-4-8-12;/h10,16H,2-9H2,1H3,(H2,13,14);1H
InChIKeyPTWIEFYKJMZKRP-UHFFFAOYSA-N
MW353.25 g/mol
LogP1.71
Rot. Bonds3

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

1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide (PubChem CID 110030510) has the molecular formula C12H24IN3O and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
PubChem CID110030510
Molecular FormulaC12H24IN3O
Molecular Weight353.25 g/mol
Exact Mass353.10
IUPAC Name1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
SMILESCN(/C(N)=N/CC1(O)CCCCC1)C1CC1.I
InChIInChI=1S/C12H23N3O.HI/c1-15(10-5-6-10)11(13)14-9-12(16)7-3-2-4-8-12;/h10,16H,2-9H2,1H3,(H2,13,14);1H
InChIKeyPTWIEFYKJMZKRP-UHFFFAOYSA-N
XLogP1.71
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide (CID 110030510) is 1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide is CN(/C(N)=N/CC1(O)CCCCC1)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide?
The InChIKey is PTWIEFYKJMZKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.HI/c1-15(10-5-6-10)11(13)14-9-12(16)7-3-2-4-8-12;/h10,16H,2-9H2,1H3,(H2,13,14);1H.
What are the key properties of 1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide has a molecular weight of 353.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110030510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).