4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide

C11H15N3O — CID 77026385

IUPAC4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C11H15N3O/c12-11(14-15)9-3-1-8(2-4-9)7-13-10-5-6-10/h1-4,10,13,15H,5-7H2,(H2,12,14)
InChIKeySQCMALALEJSHFL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.03
Rot. Bonds4

About 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide

4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77026385) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77026385
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C11H15N3O/c12-11(14-15)9-3-1-8(2-4-9)7-13-10-5-6-10/h1-4,10,13,15H,5-7H2,(H2,12,14)
InChIKeySQCMALALEJSHFL-UHFFFAOYSA-N
XLogP1.03
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
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

4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025574
N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77027848
4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77031859
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77045520
N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide
CID 79401252
4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759
3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77075368
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482642
N'-hydroxy-4-[[2-(4-methylcyclohexyl)ethylamino]methyl]benzenecarboximidamide
CID 77028502
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide (CID 77026385) is 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(CNC2CC2)cc1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is SQCMALALEJSHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-11(14-15)9-3-1-8(2-4-9)7-13-10-5-6-10/h1-4,10,13,15H,5-7H2,(H2,12,14).
What are the key properties of 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 205.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77026385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).