2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide

C12H26IN3O — CID 111088614

IUPAC2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC1(O)CCCC1.I
InChIInChI=1S/C12H25N3O.HI/c1-10(2)5-8-14-11(13)15-9-12(16)6-3-4-7-12;/h10,16H,3-9H2,1-2H3,(H3,13,14,15);1H
InChIKeyVEJYOAQHXJPRPS-UHFFFAOYSA-N
MW355.26 g/mol
LogP1.86
Rot. Bonds5

About 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide

2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide (PubChem CID 111088614) has the molecular formula C12H26IN3O and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
PubChem CID111088614
Molecular FormulaC12H26IN3O
Molecular Weight355.26 g/mol
Exact Mass355.11
IUPAC Name2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC1(O)CCCC1.I
InChIInChI=1S/C12H25N3O.HI/c1-10(2)5-8-14-11(13)15-9-12(16)6-3-4-7-12;/h10,16H,3-9H2,1-2H3,(H3,13,14,15);1H
InChIKeyVEJYOAQHXJPRPS-UHFFFAOYSA-N
XLogP1.86
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
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-(3-methylbutyl)-2-[(1-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 111807719
2-[(3-hydroxythiolan-3-yl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111601187
2-[(1-methoxycyclobutyl)methyl]-1-(3-methylbutyl)guanidine
CID 110017986
1-(3-ethoxypropyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111088638
2-[[1-(4-fluorophenyl)cyclobutyl]methyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111091549
N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide
CID 131036177
2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 62407845
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
1-(4-butan-2-ylphenyl)-2-[(1-hydroxycyclopentyl)methyl]guanidine;hydroiodide
CID 111088612
N-[3-[[amino-(3-methylbutylamino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752297
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide (CID 111088614) is 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide is CC(C)CCN/C(N)=N/CC1(O)CCCC1.I.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide?
The InChIKey is VEJYOAQHXJPRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.HI/c1-10(2)5-8-14-11(13)15-9-12(16)6-3-4-7-12;/h10,16H,3-9H2,1-2H3,(H3,13,14,15);1H.
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide?
2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide has a molecular weight of 355.26 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl]-1-(3-methylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111088614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).