4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

C16H23N3O2 — CID 106789769

IUPAC4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(CNC2CC3CCC2C3)ccc1/C(N)=N/O
InChIInChI=1S/C16H23N3O2/c1-21-15-8-11(3-5-13(15)16(17)19-20)9-18-14-7-10-2-4-12(14)6-10/h3,5,8,10,12,14,18,20H,2,4,6-7,9H2,1H3,(H2,17,19)
InChIKeyKRNDPZFCVWLBOW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.07
Rot. Bonds5

About 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide

4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 106789769) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID106789769
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1cc(CNC2CC3CCC2C3)ccc1/C(N)=N/O
InChIInChI=1S/C16H23N3O2/c1-21-15-8-11(3-5-13(15)16(17)19-20)9-18-14-7-10-2-4-12(14)6-10/h3,5,8,10,12,14,18,20H,2,4,6-7,9H2,1H3,(H2,17,19)
InChIKeyKRNDPZFCVWLBOW-UHFFFAOYSA-N
XLogP2.07
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77045520
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789636
4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791816
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 23736358
4-[[cyclopropyl(2-methoxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789360
4-[[cyclobutyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790084
N'-hydroxy-4-[(2-hydroxypropylamino)methyl]-2-methoxybenzenecarboximidamide
CID 106789546
4-[(2,3-dimethylbutylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789774
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912
2-[[4-[(Z)-N'-hydroxycarbamimidoyl]-3-methoxyphenyl]methylamino]ethyl carbamate
CID 106789955
4-[[3-(dimethylamino)propylamino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789509
N'-hydroxy-2-methoxy-4-[(1,2-oxazol-5-ylmethylamino)methyl]benzenecarboximidamide
CID 106418421

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 106789769) is 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is COc1cc(CNC2CC3CCC2C3)ccc1/C(N)=N/O.
What is the InChIKey of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is KRNDPZFCVWLBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-15-8-11(3-5-13(15)16(17)19-20)9-18-14-7-10-2-4-12(14)6-10/h3,5,8,10,12,14,18,20H,2,4,6-7,9H2,1H3,(H2,17,19).
What are the key properties of 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide?
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 289.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106789769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).