1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine

C7H16N4O — CID 62482086

IUPAC1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESCN1CCC(C/N=C(\N)NO)C1
InChIInChI=1S/C7H16N4O/c1-11-3-2-6(5-11)4-9-7(8)10-12/h6,12H,2-5H2,1H3,(H3,8,9,10)
InChIKeyHZACGSJHNOYQGO-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.77
Rot. Bonds2

About 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine

1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 62482086) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
PubChem CID62482086
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
SMILESCN1CCC(C/N=C(\N)NO)C1
InChIInChI=1S/C7H16N4O/c1-11-3-2-6(5-11)4-9-7(8)10-12/h6,12H,2-5H2,1H3,(H3,8,9,10)
InChIKeyHZACGSJHNOYQGO-UHFFFAOYSA-N
XLogP-0.77
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 55134240
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propanimidamide
CID 63175993
N'-[(1-methylpyrrolidin-3-yl)methyl]butanimidamide
CID 63175990
1,1-diethyl-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 111065330
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070
2-[(1-methylpyrrolidin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065342
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
1-(2,6-diethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065335
1-(3,4-dimethylphenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065327
N'-[(1-methylpiperidin-4-yl)methyl]ethanimidamide
CID 63173412
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 104884151

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine (CID 62482086) is 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine is CN1CCC(C/N=C(\N)NO)C1.
What is the InChIKey of 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is HZACGSJHNOYQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-11-3-2-6(5-11)4-9-7(8)10-12/h6,12H,2-5H2,1H3,(H3,8,9,10).
What are the key properties of 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine?
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 172.23 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 62482086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).