2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

C15H23N3O — CID 107398957

IUPAC2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCCN(CC1CCC1)c1cc(C)ccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O/c1-3-18(10-12-5-4-6-12)14-9-11(2)7-8-13(14)15(16)17-19/h7-9,12,19H,3-6,10H2,1-2H3,(H2,16,17)
InChIKeySZRIWRSXNHAPLW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.72
Rot. Bonds5

About 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide

2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 107398957) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID107398957
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCCN(CC1CCC1)c1cc(C)ccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O/c1-3-18(10-12-5-4-6-12)14-9-11(2)7-8-13(14)15(16)17-19/h7-9,12,19H,3-6,10H2,1-2H3,(H2,16,17)
InChIKeySZRIWRSXNHAPLW-UHFFFAOYSA-N
XLogP2.72
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.72
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[bis(cyclopropylmethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77022737
4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398964
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
2-[benzyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939093
3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398942
2-[cyclohexyl(methyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938790
4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398948
N'-hydroxy-2-[2-hydroxyethyl(propyl)amino]-4-methylbenzenecarboximidamide
CID 76938893
2-[cyclopropylmethyl(ethyl)amino]-N'-hydroxy-5-(trifluoromethyl)benzenecarboximidamide
CID 76996444
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302704
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938948
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307954

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 107398957) is 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide is CCN(CC1CCC1)c1cc(C)ccc1/C(N)=N/O.
What is the InChIKey of 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is SZRIWRSXNHAPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(10-12-5-4-6-12)14-9-11(2)7-8-13(14)15(16)17-19/h7-9,12,19H,3-6,10H2,1-2H3,(H2,16,17).
What are the key properties of 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide?
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 107398957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).