2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine

C14H29N3O — CID 111823123

IUPAC2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine
SMILESCCOC(CCN/C(N)=N/CC1CCC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-4-18-13(11(2)3)8-9-16-14(15)17-10-12-6-5-7-12/h11-13H,4-10H2,1-3H3,(H3,15,16,17)
InChIKeyVEYLSQNWTVHRHV-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.14
Rot. Bonds8

About 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine

2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine (PubChem CID 111823123) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine
PubChem CID111823123
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine
SMILESCCOC(CCN/C(N)=N/CC1CCC1)C(C)C
InChIInChI=1S/C14H29N3O/c1-4-18-13(11(2)3)8-9-16-14(15)17-10-12-6-5-7-12/h11-13H,4-10H2,1-3H3,(H3,15,16,17)
InChIKeyVEYLSQNWTVHRHV-UHFFFAOYSA-N
XLogP2.14
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.14
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

2-(cyclobutylmethyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111096600
2-(3-ethoxy-4-methylpentyl)-1-(2-methoxyethyl)guanidine
CID 111542686
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
propan-2-yl 3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037123
2-(cyclobutylmethyl)-1-(2-methylsulfanylethyl)guanidine
CID 111030376
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-[(1-ethylpyrrolidin-3-yl)methyl]guanidine
CID 111718390
N-(3-ethoxy-4-methylpentyl)piperidine-2-carboxamide;hydrochloride
CID 119343233
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
2-cyclopentyl-N-[2-[[N-(3-ethoxy-4-methylpentyl)-N'-methylcarbamimidoyl]amino]ethyl]acetamide
CID 111716928
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide
CID 111542699
2-(cyclobutylmethyl)-1-[2-[4-(2-methylpropoxy)phenyl]ethyl]guanidine;hydroiodide
CID 111806331

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine?
The IUPAC name of 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine (CID 111823123) is 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine?
The canonical SMILES for 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine is CCOC(CCN/C(N)=N/CC1CCC1)C(C)C.
What is the InChIKey of 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine?
The InChIKey is VEYLSQNWTVHRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-18-13(11(2)3)8-9-16-14(15)17-10-12-6-5-7-12/h11-13H,4-10H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine?
2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine has a molecular weight of 255.41 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine is sourced from PubChem (CID 111823123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).