1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine

C11H19N5O — CID 116511413

IUPAC1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine
SMILESCCOCCC/N=C(\NN)Nc1cccnc1
InChIInChI=1S/C11H19N5O/c1-2-17-8-4-7-14-11(16-12)15-10-5-3-6-13-9-10/h3,5-6,9H,2,4,7-8,12H2,1H3,(H2,14,15,16)
InChIKeyKDXIXWSPBBXQSK-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.74
Rot. Bonds6

About 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine

1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine (PubChem CID 116511413) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine
PubChem CID116511413
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine
SMILESCCOCCC/N=C(\NN)Nc1cccnc1
InChIInChI=1S/C11H19N5O/c1-2-17-8-4-7-14-11(16-12)15-10-5-3-6-13-9-10/h3,5-6,9H,2,4,7-8,12H2,1H3,(H2,14,15,16)
InChIKeyKDXIXWSPBBXQSK-UHFFFAOYSA-N
XLogP0.74
TPSA84.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-2-(3-ethoxypropyl)-3-(6-methyl-3-pyridinyl)guanidine
CID 116516053
1-amino-3-(3,4-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512602
1-amino-3-(2,6-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512527
1-amino-3-(3,5-difluorophenyl)-2-(3-ethoxypropyl)guanidine
CID 116512516
1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine
CID 116513647
1-amino-3-(3-chloro-4-fluorophenyl)-2-(3-ethoxypropyl)guanidine
CID 116511292
1-amino-2-(3-methoxypropyl)-3-pyrimidin-5-ylguanidine
CID 107590564
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377
1-amino-2-butyl-3-(6-ethoxy-3-pyridinyl)guanidine
CID 116515880
1-amino-2-(3-ethoxypropyl)-3-(2,4,6-trichlorophenyl)guanidine
CID 104882713
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
CID 116514877

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine (CID 116511413) is 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine is CCOCCC/N=C(\NN)Nc1cccnc1.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine?
The InChIKey is KDXIXWSPBBXQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-17-8-4-7-14-11(16-12)15-10-5-3-6-13-9-10/h3,5-6,9H,2,4,7-8,12H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine?
1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine has a molecular weight of 237.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine is sourced from PubChem (CID 116511413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).