2-amino-1-cyclopentyl-1-ethylguanidine

C8H18N4 — CID 77053927

IUPAC2-amino-1-cyclopentyl-1-ethylguanidine
SMILESCCN(C(N)=NN)C1CCCC1
InChIInChI=1S/C8H18N4/c1-2-12(8(9)11-10)7-5-3-4-6-7/h7H,2-6,10H2,1H3,(H2,9,11)
InChIKeyKLNINJARRUIHSX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.44
Rot. Bonds2

About 2-amino-1-cyclopentyl-1-ethylguanidine

2-amino-1-cyclopentyl-1-ethylguanidine (PubChem CID 77053927) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-amino-1-cyclopentyl-1-ethylguanidine.

Molecular Properties

Compound Name2-amino-1-cyclopentyl-1-ethylguanidine
PubChem CID77053927
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-amino-1-cyclopentyl-1-ethylguanidine
SMILESCCN(C(N)=NN)C1CCCC1
InChIInChI=1S/C8H18N4/c1-2-12(8(9)11-10)7-5-3-4-6-7/h7H,2-6,10H2,1H3,(H2,9,11)
InChIKeyKLNINJARRUIHSX-UHFFFAOYSA-N
XLogP0.44
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclopentyl-1-ethylguanidine?
The IUPAC name of 2-amino-1-cyclopentyl-1-ethylguanidine (CID 77053927) is 2-amino-1-cyclopentyl-1-ethylguanidine.
What is the SMILES notation for 2-amino-1-cyclopentyl-1-ethylguanidine?
The canonical SMILES for 2-amino-1-cyclopentyl-1-ethylguanidine is CCN(C(N)=NN)C1CCCC1.
What is the InChIKey of 2-amino-1-cyclopentyl-1-ethylguanidine?
The InChIKey is KLNINJARRUIHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-2-12(8(9)11-10)7-5-3-4-6-7/h7H,2-6,10H2,1H3,(H2,9,11).
What are the key properties of 2-amino-1-cyclopentyl-1-ethylguanidine?
2-amino-1-cyclopentyl-1-ethylguanidine has a molecular weight of 170.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclopentyl-1-ethylguanidine is sourced from PubChem (CID 77053927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).