1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine

C7H16N4O — CID 106361891

IUPAC1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine
SMILESNN/C(N)=N/C1CCCC1CO
InChIInChI=1S/C7H16N4O/c8-7(11-9)10-6-3-1-2-5(6)4-12/h5-6,12H,1-4,9H2,(H3,8,10,11)
InChIKeyVSCQMFXQXSIYDN-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.07
Rot. Bonds2

About 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine

1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine (PubChem CID 106361891) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine
PubChem CID106361891
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine
SMILESNN/C(N)=N/C1CCCC1CO
InChIInChI=1S/C7H16N4O/c8-7(11-9)10-6-3-1-2-5(6)4-12/h5-6,12H,1-4,9H2,(H3,8,10,11)
InChIKeyVSCQMFXQXSIYDN-UHFFFAOYSA-N
XLogP-1.07
TPSA96.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine?
The IUPAC name of 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine (CID 106361891) is 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine.
What is the SMILES notation for 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine?
The canonical SMILES for 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine is NN/C(N)=N/C1CCCC1CO.
What is the InChIKey of 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine?
The InChIKey is VSCQMFXQXSIYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c8-7(11-9)10-6-3-1-2-5(6)4-12/h5-6,12H,1-4,9H2,(H3,8,10,11).
What are the key properties of 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine?
1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine has a molecular weight of 172.23 g/mol, XLogP of -1.07, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(hydroxymethyl)cyclopentyl]guanidine is sourced from PubChem (CID 106361891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).