1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine

C10H19N3 — CID 115626495

IUPAC1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C10H19N3/c1-8(2)7-12-10(11)13-9-5-3-4-6-9/h9H,1,3-7H2,2H3,(H3,11,12,13)
InChIKeyROVZFAPREVGZHY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds3

About 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine

1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine (PubChem CID 115626495) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine
PubChem CID115626495
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)C/N=C(\N)NC1CCCC1
InChIInChI=1S/C10H19N3/c1-8(2)7-12-10(11)13-9-5-3-4-6-9/h9H,1,3-7H2,2H3,(H3,11,12,13)
InChIKeyROVZFAPREVGZHY-UHFFFAOYSA-N
XLogP1.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine (CID 115626495) is 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine is C=C(C)C/N=C(\N)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine?
The InChIKey is ROVZFAPREVGZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)7-12-10(11)13-9-5-3-4-6-9/h9H,1,3-7H2,2H3,(H3,11,12,13).
What are the key properties of 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine?
1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine has a molecular weight of 181.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 115626495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).