1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine

C13H21N5O — CID 116515886

IUPAC1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine
SMILESCCOc1ccc(N/C(=N/C2CCCC2)NN)cn1
InChIInChI=1S/C13H21N5O/c1-2-19-12-8-7-11(9-15-12)17-13(18-14)16-10-5-3-4-6-10/h7-10H,2-6,14H2,1H3,(H2,16,17,18)
InChIKeyZVPBYDWOFHIARR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.65
Rot. Bonds4

About 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine

1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine (PubChem CID 116515886) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine
PubChem CID116515886
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine
SMILESCCOc1ccc(N/C(=N/C2CCCC2)NN)cn1
InChIInChI=1S/C13H21N5O/c1-2-19-12-8-7-11(9-15-12)17-13(18-14)16-10-5-3-4-6-10/h7-10H,2-6,14H2,1H3,(H2,16,17,18)
InChIKeyZVPBYDWOFHIARR-UHFFFAOYSA-N
XLogP1.65
TPSA84.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

1-amino-2-butyl-3-(6-ethoxy-3-pyridinyl)guanidine
CID 116515880
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-2-cyclohexyl-3-(4-methoxyphenyl)guanidine
CID 116511370
1-cyclopropyl-3-(6-ethoxy-3-pyridinyl)urea
CID 115687753
1-amino-3-(4-chlorophenyl)-2-cyclopentylguanidine
CID 116512323
(2R)-2-cyclopropyl-N-(6-ethoxy-3-pyridinyl)-2-methoxypropanamide
CID 100775745
(2S)-2-cyclopropyl-N-(6-ethoxy-3-pyridinyl)-2-methoxypropanamide
CID 100775742
1-amino-2-cyclohexyl-3-(4-fluoro-3-methoxyphenyl)guanidine
CID 114841236
1-amino-2-cyclohexyl-3-(2,6-diethylphenyl)guanidine
CID 116511634
1-amino-2-cyclohexyl-3-(4-methyl-3-pyridinyl)guanidine
CID 116515198
N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide
CID 61362756
1-(6-ethoxy-3-pyridinyl)-3-(oxolan-3-yl)urea
CID 115759514

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine?
The IUPAC name of 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine (CID 116515886) is 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine?
The canonical SMILES for 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine is CCOc1ccc(N/C(=N/C2CCCC2)NN)cn1.
What is the InChIKey of 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine?
The InChIKey is ZVPBYDWOFHIARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-19-12-8-7-11(9-15-12)17-13(18-14)16-10-5-3-4-6-10/h7-10H,2-6,14H2,1H3,(H2,16,17,18).
What are the key properties of 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine?
1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine has a molecular weight of 263.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopentyl-3-(6-ethoxy-3-pyridinyl)guanidine is sourced from PubChem (CID 116515886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).