1,2-dicyclopentyl-1-propylguanidine

C14H27N3 — CID 68912914

IUPAC1,2-dicyclopentyl-1-propylguanidine
SMILESCCCN(/C(N)=N/C1CCCC1)C1CCCC1
InChIInChI=1S/C14H27N3/c1-2-11-17(13-9-5-6-10-13)14(15)16-12-7-3-4-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyYWUMZNWNWGDOIO-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.90
Rot. Bonds4

About 1,2-dicyclopentyl-1-propylguanidine

1,2-dicyclopentyl-1-propylguanidine (PubChem CID 68912914) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1,2-dicyclopentyl-1-propylguanidine.

Molecular Properties

Compound Name1,2-dicyclopentyl-1-propylguanidine
PubChem CID68912914
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1,2-dicyclopentyl-1-propylguanidine
SMILESCCCN(/C(N)=N/C1CCCC1)C1CCCC1
InChIInChI=1S/C14H27N3/c1-2-11-17(13-9-5-6-10-13)14(15)16-12-7-3-4-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyYWUMZNWNWGDOIO-UHFFFAOYSA-N
XLogP2.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dicyclopentyl-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 1,2-dicyclopentyl-1-propylguanidine?
The IUPAC name of 1,2-dicyclopentyl-1-propylguanidine (CID 68912914) is 1,2-dicyclopentyl-1-propylguanidine.
What is the SMILES notation for 1,2-dicyclopentyl-1-propylguanidine?
The canonical SMILES for 1,2-dicyclopentyl-1-propylguanidine is CCCN(/C(N)=N/C1CCCC1)C1CCCC1.
What is the InChIKey of 1,2-dicyclopentyl-1-propylguanidine?
The InChIKey is YWUMZNWNWGDOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-11-17(13-9-5-6-10-13)14(15)16-12-7-3-4-8-12/h12-13H,2-11H2,1H3,(H2,15,16).
What are the key properties of 1,2-dicyclopentyl-1-propylguanidine?
1,2-dicyclopentyl-1-propylguanidine has a molecular weight of 237.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclopentyl-1-propylguanidine is sourced from PubChem (CID 68912914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).