1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine

C11H24N4O — CID 104886332

IUPAC1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
SMILESCCC/N=C(\NN)NCCOC1CCCC1
InChIInChI=1S/C11H24N4O/c1-2-7-13-11(15-12)14-8-9-16-10-5-3-4-6-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyBQTNLHKNXXHVGY-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.76
Rot. Bonds6

About 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine

1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine (PubChem CID 104886332) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
PubChem CID104886332
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
SMILESCCC/N=C(\NN)NCCOC1CCCC1
InChIInChI=1S/C11H24N4O/c1-2-7-13-11(15-12)14-8-9-16-10-5-3-4-6-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyBQTNLHKNXXHVGY-UHFFFAOYSA-N
XLogP0.76
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.76
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-2-(2-cyclohexyloxyethyl)-3-ethylguanidine
CID 104886365
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-(2-cycloheptyloxyethyl)-2-(cyclopropylmethyl)-3-ethylguanidine
CID 111575241
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
1-(2-cycloheptyloxyethyl)-3-ethyl-2-(3-methylsulfonylpropyl)guanidine
CID 111575637
2-(3-butoxypropyl)-1-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 111238739
1-amino-2-(3-cyclopentylpropyl)-3-(2-methoxyethyl)guanidine
CID 106013168
1-amino-3-(2-cyclohexyloxyethyl)thiourea
CID 63828621
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111575456
methyl 5-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]pentanoate;hydroiodide
CID 111575678
1-(2-cycloheptyloxyethyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111575872
1-(2-cycloheptyloxyethyl)-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111576452

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine (CID 104886332) is 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine is CCC/N=C(\NN)NCCOC1CCCC1.
What is the InChIKey of 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine?
The InChIKey is BQTNLHKNXXHVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-2-7-13-11(15-12)14-8-9-16-10-5-3-4-6-10/h10H,2-9,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine?
1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine has a molecular weight of 228.34 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine is sourced from PubChem (CID 104886332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).