1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine

C13H25N3 — CID 78967117

IUPAC1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine
SMILESCC(C)CN(/C(N)=N/C1CC1)C1CCCC1
InChIInChI=1S/C13H25N3/c1-10(2)9-16(12-5-3-4-6-12)13(14)15-11-7-8-11/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyMVOWVCFGEOQOIA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.36
Rot. Bonds4

About 1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine

1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine (PubChem CID 78967117) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine
PubChem CID78967117
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine
SMILESCC(C)CN(/C(N)=N/C1CC1)C1CCCC1
InChIInChI=1S/C13H25N3/c1-10(2)9-16(12-5-3-4-6-12)13(14)15-11-7-8-11/h10-12H,3-9H2,1-2H3,(H2,14,15)
InChIKeyMVOWVCFGEOQOIA-UHFFFAOYSA-N
XLogP2.36
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.36
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-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine (CID 78967117) is 1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine is CC(C)CN(/C(N)=N/C1CC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine?
The InChIKey is MVOWVCFGEOQOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)9-16(12-5-3-4-6-12)13(14)15-11-7-8-11/h10-12H,3-9H2,1-2H3,(H2,14,15).
What are the key properties of 1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine?
1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine has a molecular weight of 223.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 78967117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).