1,1-dicyclopentyl-2-methylguanidine

C12H23N3 — CID 68865580

IUPAC1,1-dicyclopentyl-2-methylguanidine
SMILESC/N=C(\N)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C12H23N3/c1-14-12(13)15(10-6-2-3-7-10)11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,13,14)
InChIKeyQBECZYGNZPYQDB-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.12
Rot. Bonds2

About 1,1-dicyclopentyl-2-methylguanidine

1,1-dicyclopentyl-2-methylguanidine (PubChem CID 68865580) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1,1-dicyclopentyl-2-methylguanidine.

Molecular Properties

Compound Name1,1-dicyclopentyl-2-methylguanidine
PubChem CID68865580
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1,1-dicyclopentyl-2-methylguanidine
SMILESC/N=C(\N)N(C1CCCC1)C1CCCC1
InChIInChI=1S/C12H23N3/c1-14-12(13)15(10-6-2-3-7-10)11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,13,14)
InChIKeyQBECZYGNZPYQDB-UHFFFAOYSA-N
XLogP2.12
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopentyl-2-methylguanidine?
The IUPAC name of 1,1-dicyclopentyl-2-methylguanidine (CID 68865580) is 1,1-dicyclopentyl-2-methylguanidine.
What is the SMILES notation for 1,1-dicyclopentyl-2-methylguanidine?
The canonical SMILES for 1,1-dicyclopentyl-2-methylguanidine is C/N=C(\N)N(C1CCCC1)C1CCCC1.
What is the InChIKey of 1,1-dicyclopentyl-2-methylguanidine?
The InChIKey is QBECZYGNZPYQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-14-12(13)15(10-6-2-3-7-10)11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,13,14).
What are the key properties of 1,1-dicyclopentyl-2-methylguanidine?
1,1-dicyclopentyl-2-methylguanidine has a molecular weight of 209.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopentyl-2-methylguanidine is sourced from PubChem (CID 68865580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).