3-(cyclobutylmethoxy)benzenecarboximidamide

C12H16N2O — CID 42656936

IUPAC3-(cyclobutylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCC2CCC2)c1
InChIInChI=1S/C12H16N2O/c13-12(14)10-5-2-6-11(7-10)15-8-9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H3,13,14)
InChIKeyLHHSGLJDVSPTGU-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.15
Rot. Bonds4

About 3-(cyclobutylmethoxy)benzenecarboximidamide

3-(cyclobutylmethoxy)benzenecarboximidamide (PubChem CID 42656936) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(cyclobutylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-(cyclobutylmethoxy)benzenecarboximidamide
PubChem CID42656936
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(cyclobutylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCC2CCC2)c1
InChIInChI=1S/C12H16N2O/c13-12(14)10-5-2-6-11(7-10)15-8-9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H3,13,14)
InChIKeyLHHSGLJDVSPTGU-UHFFFAOYSA-N
XLogP2.15
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.15
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

3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
CID 106929697
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
3-(cyclohexylmethoxy)-5-methoxybenzenecarboximidamide
CID 103567631
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
CID 141009924
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530
2-[4-(cyclobutylmethoxy)phenyl]ethanimidamide
CID 65458060
6-[4-[(3-acetylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboximidamide
CID 118134686
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethoxy)benzenecarboximidamide?
The IUPAC name of 3-(cyclobutylmethoxy)benzenecarboximidamide (CID 42656936) is 3-(cyclobutylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-(cyclobutylmethoxy)benzenecarboximidamide?
The canonical SMILES for 3-(cyclobutylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCC2CCC2)c1.
What is the InChIKey of 3-(cyclobutylmethoxy)benzenecarboximidamide?
The InChIKey is LHHSGLJDVSPTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-12(14)10-5-2-6-11(7-10)15-8-9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H3,13,14).
What are the key properties of 3-(cyclobutylmethoxy)benzenecarboximidamide?
3-(cyclobutylmethoxy)benzenecarboximidamide has a molecular weight of 204.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 42656936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).