1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine

C13H26N4 — CID 111802070

IUPAC1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
SMILESCN1CCCC(C/N=C(\N)NCC2CCC2)C1
InChIInChI=1S/C13H26N4/c1-17-7-3-6-12(10-17)9-16-13(14)15-8-11-4-2-5-11/h11-12H,2-10H2,1H3,(H3,14,15,16)
InChIKeyBSRFYEWUUKBESX-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.03
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine

1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine (PubChem CID 111802070) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
PubChem CID111802070
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
SMILESCN1CCCC(C/N=C(\N)NCC2CCC2)C1
InChIInChI=1S/C13H26N4/c1-17-7-3-6-12(10-17)9-16-13(14)15-8-11-4-2-5-11/h11-12H,2-10H2,1H3,(H3,14,15,16)
InChIKeyBSRFYEWUUKBESX-UHFFFAOYSA-N
XLogP1.03
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.03
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-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
1-[(1-methylpiperidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912317
2-[(1-methylpiperidin-3-yl)methyl]-1-octylguanidine;hydroiodide
CID 111802035
2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077544
2-(cyclobutylmethyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine
CID 111090199
1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065756
1-(cyclobutylmethyl)-2-[(3-methylcyclopentyl)methyl]guanidine;hydroiodide
CID 120663205
1-hydroxy-2-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 62482086
2-[(3,4-dimethoxyphenyl)methyl]-1-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802064
1-(cyclobutylmethyl)-2-[(1,1-dioxothiolan-3-yl)methyl]guanidine
CID 119118287
ethyl 4-[[N'-[(1-methylpiperidin-3-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111802010

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine (CID 111802070) is 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine is CN1CCCC(C/N=C(\N)NCC2CCC2)C1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine?
The InChIKey is BSRFYEWUUKBESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-17-7-3-6-12(10-17)9-16-13(14)15-8-11-4-2-5-11/h11-12H,2-10H2,1H3,(H3,14,15,16).
What are the key properties of 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine?
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111802070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).