1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine

C16H26N4O — CID 110004848

IUPAC1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine
SMILESCC(C)(C)Oc1ccc(C/N=C(\N)NCC2CCC2)cn1
InChIInChI=1S/C16H26N4O/c1-16(2,3)21-14-8-7-13(10-18-14)11-20-15(17)19-9-12-5-4-6-12/h7-8,10,12H,4-6,9,11H2,1-3H3,(H3,17,19,20)
InChIKeyZYKBQOQERNQYMM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine

1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine (PubChem CID 110004848) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine
PubChem CID110004848
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine
SMILESCC(C)(C)Oc1ccc(C/N=C(\N)NCC2CCC2)cn1
InChIInChI=1S/C16H26N4O/c1-16(2,3)21-14-8-7-13(10-18-14)11-20-15(17)19-9-12-5-4-6-12/h7-8,10,12H,4-6,9,11H2,1-3H3,(H3,17,19,20)
InChIKeyZYKBQOQERNQYMM-UHFFFAOYSA-N
XLogP2.46
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine 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

1-(cyclobutylmethyl)-2-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydrobromide
CID 167902962
2-[[N-(cyclohexylmethyl)-N'-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110033737
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(cyclobutylmethyl)guanidine
CID 111049228
1-(cyclobutylmethyl)-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111040089
1-(cyclobutylmethyl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111048779
1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 111050020
1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050019
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
1-butyl-2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]guanidine
CID 111086403
1-(cyclobutylmethyl)-2-[[4-(2-methoxyethylamino)phenyl]methyl]guanidine;hydroiodide
CID 111089846
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111086466
1-(cyclobutylmethyl)-2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]guanidine
CID 111816816

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine (CID 110004848) is 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine is CC(C)(C)Oc1ccc(C/N=C(\N)NCC2CCC2)cn1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine?
The InChIKey is ZYKBQOQERNQYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)21-14-8-7-13(10-18-14)11-20-15(17)19-9-12-5-4-6-12/h7-8,10,12H,4-6,9,11H2,1-3H3,(H3,17,19,20).
What are the key properties of 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine?
1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine has a molecular weight of 290.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 110004848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).