1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine

C17H27N3O — CID 111081895

IUPAC1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
SMILESCC(C/N=C(\N)NCC1CCC1)COCc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(12-21-13-16-6-3-2-4-7-16)10-19-17(18)20-11-15-8-5-9-15/h2-4,6-7,14-15H,5,8-13H2,1H3,(H3,18,19,20)
InChIKeyWFJNCWKTYQZLHG-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.54
Rot. Bonds8

About 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine

1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine (PubChem CID 111081895) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
PubChem CID111081895
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine
SMILESCC(C/N=C(\N)NCC1CCC1)COCc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(12-21-13-16-6-3-2-4-7-16)10-19-17(18)20-11-15-8-5-9-15/h2-4,6-7,14-15H,5,8-13H2,1H3,(H3,18,19,20)
InChIKeyWFJNCWKTYQZLHG-UHFFFAOYSA-N
XLogP2.54
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-(2-methyl-3-phenylmethoxypropyl)guanidine
CID 111081849
1-(3-ethoxypropyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine;hydroiodide
CID 111081870
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
1-(cyclobutylmethyl)-2-(3-methyl-2-phenylbutyl)guanidine
CID 111069108
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450
4-methyl-N'-(2-methyl-3-phenylmethoxypropyl)piperidine-1-carboximidamide
CID 110920562
1-(cyclobutylmethyl)-2-(2-methyl-3-thiophen-2-ylpropyl)guanidine
CID 111820120
1-(cyclobutylmethyl)-2-[(4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111047621
2-[2-(2-chlorophenoxy)propyl]-1-(cyclobutylmethyl)guanidine
CID 111821490
2-hydroxy-N-(2-methyl-3-phenylmethoxypropyl)cyclopentane-1-carboxamide
CID 110015433
(3R)-N-ethyl-3-hydroxy-N'-(2-methyl-3-phenylmethoxypropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111550863
N-[2-[[N-ethyl-N'-(2-methyl-3-phenylmethoxypropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927037

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine (CID 111081895) is 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine is CC(C/N=C(\N)NCC1CCC1)COCc1ccccc1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine?
The InChIKey is WFJNCWKTYQZLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(12-21-13-16-6-3-2-4-7-16)10-19-17(18)20-11-15-8-5-9-15/h2-4,6-7,14-15H,5,8-13H2,1H3,(H3,18,19,20).
What are the key properties of 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine?
1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine has a molecular weight of 289.42 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(2-methyl-3-phenylmethoxypropyl)guanidine is sourced from PubChem (CID 111081895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).