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

C14H28IN3O2 — CID 111036029

IUPAC2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCCOCC1CCCO1
InChIInChI=1S/C14H27N3O2.HI/c15-14(17-10-12-4-1-5-12)16-7-3-8-18-11-13-6-2-9-19-13;/h12-13H,1-11H2,(H3,15,16,17);1H
InChIKeyFHJONPWHXBPAME-UHFFFAOYSA-N
MW397.30 g/mol
LogP1.89
Rot. Bonds8

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

2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide (PubChem CID 111036029) has the molecular formula C14H28IN3O2 and a molecular weight of 397.30 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
PubChem CID111036029
Molecular FormulaC14H28IN3O2
Molecular Weight397.30 g/mol
Exact Mass397.12
IUPAC Name2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCCCOCC1CCCO1
InChIInChI=1S/C14H27N3O2.HI/c15-14(17-10-12-4-1-5-12)16-7-3-8-18-11-13-6-2-9-19-13;/h12-13H,1-11H2,(H3,15,16,17);1H
InChIKeyFHJONPWHXBPAME-UHFFFAOYSA-N
XLogP1.89
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 51.89
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclobutylmethyl)-1-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818632
1-hexyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111035993
2-methyl-1-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide
CID 111414866
N-[3-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752321
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
1-[3-(4-methoxyphenoxy)propyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 75419011
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
2-(oxan-4-ylmethyl)-1-(oxolan-2-ylmethyl)guanidine
CID 119118912
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408874
N-[2-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111409222

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide (CID 111036029) is 2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide is I.N/C(=N\CC1CCC1)NCCCOCC1CCCO1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
The InChIKey is FHJONPWHXBPAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.HI/c15-14(17-10-12-4-1-5-12)16-7-3-8-18-11-13-6-2-9-19-13;/h12-13H,1-11H2,(H3,15,16,17);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide has a molecular weight of 397.30 g/mol, XLogP of 1.89, 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-2-ylmethoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111036029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).