1,1-dicyclopentylguanidine

C11H21N3 — CID 19841614

IUPAC1,1-dicyclopentylguanidine
SMILES[H]/N=C(\N)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C11H21N3/c12-11(13)14(9-5-1-2-6-9)10-7-3-4-8-10/h9-10H,1-8H2,(H3,12,13)
InChIKeyDVOLERQOUPHQMU-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.07
Rot. Bonds2

About 1,1-dicyclopentylguanidine

1,1-dicyclopentylguanidine (PubChem CID 19841614) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,1-dicyclopentylguanidine.

Molecular Properties

Compound Name1,1-dicyclopentylguanidine
PubChem CID19841614
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1,1-dicyclopentylguanidine
SMILES[H]/N=C(\N)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C11H21N3/c12-11(13)14(9-5-1-2-6-9)10-7-3-4-8-10/h9-10H,1-8H2,(H3,12,13)
InChIKeyDVOLERQOUPHQMU-UHFFFAOYSA-N
XLogP2.07
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,1-dicyclopentylguanidine?
The IUPAC name of 1,1-dicyclopentylguanidine (CID 19841614) is 1,1-dicyclopentylguanidine.
What is the SMILES notation for 1,1-dicyclopentylguanidine?
The canonical SMILES for 1,1-dicyclopentylguanidine is [H]/N=C(\N)N(C1CCCC1)C1CCCC1.
What is the InChIKey of 1,1-dicyclopentylguanidine?
The InChIKey is DVOLERQOUPHQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c12-11(13)14(9-5-1-2-6-9)10-7-3-4-8-10/h9-10H,1-8H2,(H3,12,13).
What are the key properties of 1,1-dicyclopentylguanidine?
1,1-dicyclopentylguanidine has a molecular weight of 195.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopentylguanidine is sourced from PubChem (CID 19841614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).