N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide

C12H19N3O2 — CID 77065913

IUPACN'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
SMILESCCCNCc1ccc(OC)c(C(N)=NO)c1
InChIInChI=1S/C12H19N3O2/c1-3-6-14-8-9-4-5-11(17-2)10(7-9)12(13)15-16/h4-5,7,14,16H,3,6,8H2,1-2H3,(H2,13,15)
InChIKeyRBCDTCJGFHMBCD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.29
Rot. Bonds6

About N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide

N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide (PubChem CID 77065913) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
PubChem CID77065913
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
SMILESCCCNCc1ccc(OC)c(C(N)=NO)c1
InChIInChI=1S/C12H19N3O2/c1-3-6-14-8-9-4-5-11(17-2)10(7-9)12(13)15-16/h4-5,7,14,16H,3,6,8H2,1-2H3,(H2,13,15)
InChIKeyRBCDTCJGFHMBCD-UHFFFAOYSA-N
XLogP1.29
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-hydroxy-5-[(3-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065859
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]propanamide
CID 77065797
N'-hydroxy-2-methoxy-5-[(2-methylsulfanylethylamino)methyl]benzenecarboximidamide
CID 65340181
5-[(3-ethoxypropylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065815
N'-hydroxy-2-methoxy-5-[(2-propan-2-yloxyethylamino)methyl]benzenecarboximidamide
CID 104762048
N'-hydroxy-5-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2-methoxybenzenecarboximidamide
CID 77065968
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 77066079
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
N'-hydroxy-5-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxybenzenecarboximidamide
CID 77065806
5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106177194
N'-hydroxy-2-methoxy-5-[(2-methylpentan-3-ylamino)methyl]benzenecarboximidamide
CID 77066155

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide (CID 77065913) is N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide is CCCNCc1ccc(OC)c(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide?
The InChIKey is RBCDTCJGFHMBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-6-14-8-9-4-5-11(17-2)10(7-9)12(13)15-16/h4-5,7,14,16H,3,6,8H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide?
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide has a molecular weight of 237.30 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide is sourced from PubChem (CID 77065913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).