1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine

C11H19N3O — CID 119155581

IUPAC1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC1CCCC1O
InChIInChI=1S/C11H19N3O/c1-3-7-13-11(12-2)14-8-9-5-4-6-10(9)15/h1,9-10,15H,4-8H2,2H3,(H2,12,13,14)
InChIKeyCGHNZLUOWRGNJH-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.05
Rot. Bonds3

About 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine

1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine (PubChem CID 119155581) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine
PubChem CID119155581
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCC1CCCC1O
InChIInChI=1S/C11H19N3O/c1-3-7-13-11(12-2)14-8-9-5-4-6-10(9)15/h1,9-10,15H,4-8H2,2H3,(H2,12,13,14)
InChIKeyCGHNZLUOWRGNJH-UHFFFAOYSA-N
XLogP-0.05
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.05
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine (CID 119155581) is 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine is C#CCN/C(=N\C)NCC1CCCC1O.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine?
The InChIKey is CGHNZLUOWRGNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-7-13-11(12-2)14-8-9-5-4-6-10(9)15/h1,9-10,15H,4-8H2,2H3,(H2,12,13,14).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine?
1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine has a molecular weight of 209.29 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-prop-2-ynylguanidine is sourced from PubChem (CID 119155581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).