2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine

C15H23N3O — CID 111046101

IUPAC2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
SMILESCCOCCC/N=C(\N)NC1CC1c1ccccc1
InChIInChI=1S/C15H23N3O/c1-2-19-10-6-9-17-15(16)18-14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H3,16,17,18)
InChIKeyHKBABBXSQFWPFJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.87
Rot. Bonds7

About 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine

2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine (PubChem CID 111046101) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
PubChem CID111046101
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
SMILESCCOCCC/N=C(\N)NC1CC1c1ccccc1
InChIInChI=1S/C15H23N3O/c1-2-19-10-6-9-17-15(16)18-14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H3,16,17,18)
InChIKeyHKBABBXSQFWPFJ-UHFFFAOYSA-N
XLogP1.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxypropyl)-1-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111818787
1-[2-(4-bromophenyl)cyclopropyl]-2-butylguanidine
CID 111096189
2-(3-morpholin-4-ylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111046104
2-(2-methylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110912321
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046099
2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046155
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-(2-cyclohexylcyclopropyl)-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111819995
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046131
2-(3-ethoxypropyl)-1-(2-phenylethyl)guanidine
CID 111022885
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111773586
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine?
The IUPAC name of 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine (CID 111046101) is 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine.
What is the SMILES notation for 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine?
The canonical SMILES for 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine is CCOCCC/N=C(\N)NC1CC1c1ccccc1.
What is the InChIKey of 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine?
The InChIKey is HKBABBXSQFWPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-19-10-6-9-17-15(16)18-14-11-13(14)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H3,16,17,18).
What are the key properties of 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine?
2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine has a molecular weight of 261.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine is sourced from PubChem (CID 111046101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).