2-(oxan-2-ylmethyl)-1-propylguanidine

C10H21N3O — CID 62364664

IUPAC2-(oxan-2-ylmethyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC1CCCCO1
InChIInChI=1S/C10H21N3O/c1-2-6-12-10(11)13-8-9-5-3-4-7-14-9/h9H,2-8H2,1H3,(H3,11,12,13)
InChIKeyFOMYGYJRUHWXCV-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.87
Rot. Bonds4

About 2-(oxan-2-ylmethyl)-1-propylguanidine

2-(oxan-2-ylmethyl)-1-propylguanidine (PubChem CID 62364664) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-1-propylguanidine.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-1-propylguanidine
PubChem CID62364664
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(oxan-2-ylmethyl)-1-propylguanidine
SMILESCCCN/C(N)=N/CC1CCCCO1
InChIInChI=1S/C10H21N3O/c1-2-6-12-10(11)13-8-9-5-3-4-7-14-9/h9H,2-8H2,1H3,(H3,11,12,13)
InChIKeyFOMYGYJRUHWXCV-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(oxan-2-ylmethyl)-1-propylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-1-propylguanidine?
The IUPAC name of 2-(oxan-2-ylmethyl)-1-propylguanidine (CID 62364664) is 2-(oxan-2-ylmethyl)-1-propylguanidine.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-1-propylguanidine?
The canonical SMILES for 2-(oxan-2-ylmethyl)-1-propylguanidine is CCCN/C(N)=N/CC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethyl)-1-propylguanidine?
The InChIKey is FOMYGYJRUHWXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-6-12-10(11)13-8-9-5-3-4-7-14-9/h9H,2-8H2,1H3,(H3,11,12,13).
What are the key properties of 2-(oxan-2-ylmethyl)-1-propylguanidine?
2-(oxan-2-ylmethyl)-1-propylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-1-propylguanidine is sourced from PubChem (CID 62364664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).