2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine

C14H27N3O2 — CID 111818632

IUPAC2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine
SMILESN/C(=N\CC1CCC1)NCCCOCC1CCOC1
InChIInChI=1S/C14H27N3O2/c15-14(17-9-12-3-1-4-12)16-6-2-7-18-10-13-5-8-19-11-13/h12-13H,1-11H2,(H3,15,16,17)
InChIKeyNNBJSJDBFVSDER-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.13
Rot. Bonds8

About 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine

2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine (PubChem CID 111818632) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine
PubChem CID111818632
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine
SMILESN/C(=N\CC1CCC1)NCCCOCC1CCOC1
InChIInChI=1S/C14H27N3O2/c15-14(17-9-12-3-1-4-12)16-6-2-7-18-10-13-5-8-19-11-13/h12-13H,1-11H2,(H3,15,16,17)
InChIKeyNNBJSJDBFVSDER-UHFFFAOYSA-N
XLogP1.13
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111036029
2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide
CID 119146618
2-(2-methylprop-2-enyl)-1-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111644014
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
1-(3-methoxypropyl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111647528
2-[3-(oxolan-3-ylmethoxy)propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111818568
2-(cyclobutylmethyl)-1-[3-(2-phenylethoxy)propyl]guanidine
CID 111074333
1-ethyl-3-[3-(oxolan-3-ylmethoxy)propyl]-2-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111645811
1-ethyl-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111645237
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
3-amino-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]butanamide;hydrochloride
CID 120501461
1-(2-ethoxyethyl)-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645564

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine (CID 111818632) is 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine is N/C(=N\CC1CCC1)NCCCOCC1CCOC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
The InChIKey is NNBJSJDBFVSDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c15-14(17-9-12-3-1-4-12)16-6-2-7-18-10-13-5-8-19-11-13/h12-13H,1-11H2,(H3,15,16,17).
What are the key properties of 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine?
2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine has a molecular weight of 269.39 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine is sourced from PubChem (CID 111818632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).