2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine

C8H17N3O — CID 63297070

IUPAC2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine
SMILESCCN/C(N)=N/CC(O)C1CC1
InChIInChI=1S/C8H17N3O/c1-2-10-8(9)11-5-7(12)6-3-4-6/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeyBBALEBORPYNZKT-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.32
Rot. Bonds4

About 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine

2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine (PubChem CID 63297070) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine
PubChem CID63297070
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine
SMILESCCN/C(N)=N/CC(O)C1CC1
InChIInChI=1S/C8H17N3O/c1-2-10-8(9)11-5-7(12)6-3-4-6/h6-7,12H,2-5H2,1H3,(H3,9,10,11)
InChIKeyBBALEBORPYNZKT-UHFFFAOYSA-N
XLogP-0.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.32
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine?
The IUPAC name of 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine (CID 63297070) is 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine.
What is the SMILES notation for 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine?
The canonical SMILES for 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine is CCN/C(N)=N/CC(O)C1CC1.
What is the InChIKey of 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine?
The InChIKey is BBALEBORPYNZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-10-8(9)11-5-7(12)6-3-4-6/h6-7,12H,2-5H2,1H3,(H3,9,10,11).
What are the key properties of 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine?
2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine has a molecular weight of 171.24 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-hydroxyethyl)-1-ethylguanidine is sourced from PubChem (CID 63297070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).