3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

C14H20ClN3O — CID 107398942

IUPAC3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC1CCC1)c1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-2-18(9-10-4-3-5-10)13-7-6-11(8-12(13)15)14(16)17-19/h6-8,10,19H,2-5,9H2,1H3,(H2,16,17)
InChIKeyFIEICZQUTZURGD-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.06
Rot. Bonds5

About 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 107398942) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID107398942
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(CC1CCC1)c1ccc(/C(N)=N/O)cc1Cl
InChIInChI=1S/C14H20ClN3O/c1-2-18(9-10-4-3-5-10)13-7-6-11(8-12(13)15)14(16)17-19/h6-8,10,19H,2-5,9H2,1H3,(H2,16,17)
InChIKeyFIEICZQUTZURGD-UHFFFAOYSA-N
XLogP3.06
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.06
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

3-chloro-4-[cyclopentyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76984358
4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398948
4-chloro-2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 107398964
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 107398957
3-chloro-4-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 76997661
3-chloro-N'-hydroxy-4-[(3-hydroxycyclobutyl)methyl-methylamino]benzenecarboximidamide
CID 77108514
3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632381
3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984457
3-chloro-4-(cyclobutylmethoxy)-N'-hydroxybenzenecarboximidamide
CID 77067797
6-[cyclopropylmethyl(ethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 76996434
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984250
2-chloro-N-(cyclobutylmethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 107399202

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 107398942) is 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is CCN(CC1CCC1)c1ccc(/C(N)=N/O)cc1Cl.
What is the InChIKey of 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FIEICZQUTZURGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-18(9-10-4-3-5-10)13-7-6-11(8-12(13)15)14(16)17-19/h6-8,10,19H,2-5,9H2,1H3,(H2,16,17).
What are the key properties of 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[cyclobutylmethyl(ethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107398942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).