1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine

C15H26N4O2 — CID 116513647

IUPAC1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine
SMILESCCCOc1ccc(N/C(=N/CCCOCC)NN)cc1
InChIInChI=1S/C15H26N4O2/c1-3-11-21-14-8-6-13(7-9-14)18-15(19-16)17-10-5-12-20-4-2/h6-9H,3-5,10-12,16H2,1-2H3,(H2,17,18,19)
InChIKeyAEJCGXXBLPFLPN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.13
Rot. Bonds9

About 1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine

1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine (PubChem CID 116513647) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine
PubChem CID116513647
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine
SMILESCCCOc1ccc(N/C(=N/CCCOCC)NN)cc1
InChIInChI=1S/C15H26N4O2/c1-3-11-21-14-8-6-13(7-9-14)18-15(19-16)17-10-5-12-20-4-2/h6-9H,3-5,10-12,16H2,1-2H3,(H2,17,18,19)
InChIKeyAEJCGXXBLPFLPN-UHFFFAOYSA-N
XLogP2.13
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.13
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-methyl-3-(4-propoxyphenyl)guanidine
CID 116510801
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-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
1-amino-3-(3,5-difluorophenyl)-2-(3-ethoxypropyl)guanidine
CID 116512516
1-amino-3-(3-chloro-4-fluorophenyl)-2-(3-ethoxypropyl)guanidine
CID 116511292
1-amino-2-(3-ethoxypropyl)-3-pyridin-3-ylguanidine
CID 116511413
1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine
CID 116511523
1-amino-3-(2,6-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512527
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propoxyphenyl)guanidine
CID 116513645
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

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine (CID 116513647) is 1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine is CCCOc1ccc(N/C(=N/CCCOCC)NN)cc1.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine?
The InChIKey is AEJCGXXBLPFLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-11-21-14-8-6-13(7-9-14)18-15(19-16)17-10-5-12-20-4-2/h6-9H,3-5,10-12,16H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine?
1-amino-2-(3-ethoxypropyl)-3-(4-propoxyphenyl)guanidine has a molecular weight of 294.40 g/mol, XLogP of 2.13, 9 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-(4-propoxyphenyl)guanidine is sourced from PubChem (CID 116513647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).