N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide

C16H25N3O2 — CID 77065911

IUPACN'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
SMILESCOc1ccc(CN2CCCCCC2C)cc1C(N)=NO
InChIInChI=1S/C16H25N3O2/c1-12-6-4-3-5-9-19(12)11-13-7-8-15(21-2)14(10-13)16(17)18-20/h7-8,10,12,20H,3-6,9,11H2,1-2H3,(H2,17,18)
InChIKeyOOJWLJJLFNVATA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.55
Rot. Bonds4

About N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide

N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide (PubChem CID 77065911) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
PubChem CID77065911
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
SMILESCOc1ccc(CN2CCCCCC2C)cc1C(N)=NO
InChIInChI=1S/C16H25N3O2/c1-12-6-4-3-5-9-19(12)11-13-7-8-15(21-2)14(10-13)16(17)18-20/h7-8,10,12,20H,3-6,9,11H2,1-2H3,(H2,17,18)
InChIKeyOOJWLJJLFNVATA-UHFFFAOYSA-N
XLogP2.55
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
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

5-[(2,3-dimethylpiperidin-1-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065866
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065803
N'-hydroxy-2-methoxy-5-(1,4-thiazepan-4-ylmethyl)benzenecarboximidamide
CID 77065920
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065983
N'-hydroxy-2-methoxy-5-(1,4-oxazepan-4-ylmethyl)benzenecarboximidamide
CID 77065748
5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338983
N'-hydroxy-3-methyl-4-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 114482620
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
5-[(cyclopropylmethylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065912

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide (CID 77065911) is N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide is COc1ccc(CN2CCCCCC2C)cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide?
The InChIKey is OOJWLJJLFNVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-6-4-3-5-9-19(12)11-13-7-8-15(21-2)14(10-13)16(17)18-20/h7-8,10,12,20H,3-6,9,11H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide?
N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 77065911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).