N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide

C14H20N2O — CID 103742051

IUPACN'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide
SMILESCOC1CC(/N=C(\N)c2ccccc2)C1(C)C
InChIInChI=1S/C14H20N2O/c1-14(2)11(9-12(14)17-3)16-13(15)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H2,15,16)
InChIKeyMXEGSHHXKOVZFE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.21
Rot. Bonds3

About N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide

N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide (PubChem CID 103742051) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide
PubChem CID103742051
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide
SMILESCOC1CC(/N=C(\N)c2ccccc2)C1(C)C
InChIInChI=1S/C14H20N2O/c1-14(2)11(9-12(14)17-3)16-13(15)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H2,15,16)
InChIKeyMXEGSHHXKOVZFE-UHFFFAOYSA-N
XLogP2.21
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
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

N'-(2,2-dimethylcyclopentyl)benzenecarboximidamide
CID 79872687
2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine
CID 119152223
1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
CID 119152194
1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine
CID 103741947
N'-[(1S,3R)-2,2-dimethyl-3-phenoxycyclobutyl]azetidine-1-carboximidamide
CID 122096140
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
N'-cyclopropylbenzenecarboximidamide
CID 12916005
N'-methoxybenzenecarboximidamide
CID 10678407
N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
N'-(3,4-dimethoxyphenyl)benzenecarboximidamide
CID 24834403

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide?
The IUPAC name of N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide (CID 103742051) is N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide.
What is the SMILES notation for N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide?
The canonical SMILES for N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide is COC1CC(/N=C(\N)c2ccccc2)C1(C)C.
What is the InChIKey of N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide?
The InChIKey is MXEGSHHXKOVZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)11(9-12(14)17-3)16-13(15)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H2,15,16).
What are the key properties of N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide?
N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide has a molecular weight of 232.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-2,2-dimethylcyclobutyl)benzenecarboximidamide is sourced from PubChem (CID 103742051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).