4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C15H23N3O — CID 114482469

IUPAC4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCCN(Cc1ccc(/C(N)=N/O)cc1C)C1CC1
InChIInChI=1S/C15H23N3O/c1-3-8-18(14-6-7-14)10-13-5-4-12(9-11(13)2)15(16)17-19/h4-5,9,14,19H,3,6-8,10H2,1-2H3,(H2,16,17)
InChIKeyHUYZBSKQBDERCN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.46
Rot. Bonds6

About 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide

4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114482469) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114482469
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCCN(Cc1ccc(/C(N)=N/O)cc1C)C1CC1
InChIInChI=1S/C15H23N3O/c1-3-8-18(14-6-7-14)10-13-5-4-12(9-11(13)2)15(16)17-19/h4-5,9,14,19H,3,6-8,10H2,1-2H3,(H2,16,17)
InChIKeyHUYZBSKQBDERCN-UHFFFAOYSA-N
XLogP2.46
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.46
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-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666807
4-[[cyclopentyl(methyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482466
4-[[cyclopropylmethyl(ethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482614
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481863
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482501
N'-hydroxy-3-methyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 114482615
4-[[3-(dimethylamino)propyl-methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482608
N'-hydroxy-4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114482519
4-[[ethyl(2-ethylbutyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482527
3-chloro-4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666899
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482555

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114482469) is 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is CCCN(Cc1ccc(/C(N)=N/O)cc1C)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is HUYZBSKQBDERCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-8-18(14-6-7-14)10-13-5-4-12(9-11(13)2)15(16)17-19/h4-5,9,14,19H,3,6-8,10H2,1-2H3,(H2,16,17).
What are the key properties of 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(propyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114482469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).