1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine

C10H20F2N4O — CID 114128970

IUPAC1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
SMILESNN/C(=N\CCOCC(F)F)NC1CCCC1
InChIInChI=1S/C10H20F2N4O/c11-9(12)7-17-6-5-14-10(16-13)15-8-3-1-2-4-8/h8-9H,1-7,13H2,(H2,14,15,16)
InChIKeyDPDXVUYQICQESH-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.62
Rot. Bonds6

About 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine

1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine (PubChem CID 114128970) has the molecular formula C10H20F2N4O and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
PubChem CID114128970
Molecular FormulaC10H20F2N4O
Molecular Weight250.29 g/mol
Exact Mass250.16
IUPAC Name1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
SMILESNN/C(=N\CCOCC(F)F)NC1CCCC1
InChIInChI=1S/C10H20F2N4O/c11-9(12)7-17-6-5-14-10(16-13)15-8-3-1-2-4-8/h8-9H,1-7,13H2,(H2,14,15,16)
InChIKeyDPDXVUYQICQESH-UHFFFAOYSA-N
XLogP0.62
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-amino-3-cyclohexyl-2-(2-phenoxyethyl)guanidine
CID 116513778
1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296453
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-amino-3-cyclohexyl-2-(3-methylsulfanylpropyl)guanidine
CID 104886471
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]acetamide
CID 104882876
1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-cyclopentyl-3-ethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 110992677
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
1-amino-3-cyclopentyl-2-(2-thiomorpholin-4-ylethyl)guanidine
CID 106327693

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The IUPAC name of 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine (CID 114128970) is 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The canonical SMILES for 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine is NN/C(=N\CCOCC(F)F)NC1CCCC1.
What is the InChIKey of 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
The InChIKey is DPDXVUYQICQESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N4O/c11-9(12)7-17-6-5-14-10(16-13)15-8-3-1-2-4-8/h8-9H,1-7,13H2,(H2,14,15,16).
What are the key properties of 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine?
1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine has a molecular weight of 250.29 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine is sourced from PubChem (CID 114128970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).