4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C13H19N3O — CID 77031859

IUPAC4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)CC1NCc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H19N3O/c1-13(2)7-11(13)15-8-9-3-5-10(6-4-9)12(14)16-17/h3-6,11,15,17H,7-8H2,1-2H3,(H2,14,16)
InChIKeyFMWNZGDUCYJHKV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.67
Rot. Bonds4

About 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 77031859) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID77031859
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)CC1NCc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H19N3O/c1-13(2)7-11(13)15-8-9-3-5-10(6-4-9)12(14)16-17/h3-6,11,15,17H,7-8H2,1-2H3,(H2,14,16)
InChIKeyFMWNZGDUCYJHKV-UHFFFAOYSA-N
XLogP1.67
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.67
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-[[(2,2-dimethylcyclopropyl)amino]methyl]benzamide
CID 61223755
4-[(cyclopropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026385
4-[(cyclooctylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77025574
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629959
N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]-1-methylcyclohexane-1-carboxamide
CID 106828692
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77045520
N'-hydroxy-4-[(3-methylbutylamino)methyl]benzenecarboximidamide
CID 77025588
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77027848
N'-hydroxy-4-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]benzenecarboximidamide
CID 113478920
4-[[(2,2-dimethylcyclohexyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482995

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 77031859) is 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is CC1(C)CC1NCc1ccc(C(N)=NO)cc1.
What is the InChIKey of 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FMWNZGDUCYJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2)7-11(13)15-8-9-3-5-10(6-4-9)12(14)16-17/h3-6,11,15,17H,7-8H2,1-2H3,(H2,14,16).
What are the key properties of 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethylcyclopropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77031859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).