2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide

C14H21N3O — CID 15665421

IUPAC2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NO)c1ccccc1N1CCCCCC1
InChIInChI=1S/C14H21N3O/c1-15-14(16-18)12-8-4-5-9-13(12)17-10-6-2-3-7-11-17/h4-5,8-9,18H,2-3,6-7,10-11H2,1H3,(H,15,16)
InChIKeyFOBMZNIOHLAGMQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds2

About 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide

2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide (PubChem CID 15665421) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide
PubChem CID15665421
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NO)c1ccccc1N1CCCCCC1
InChIInChI=1S/C14H21N3O/c1-15-14(16-18)12-8-4-5-9-13(12)17-10-6-2-3-7-11-17/h4-5,8-9,18H,2-3,6-7,10-11H2,1H3,(H,15,16)
InChIKeyFOBMZNIOHLAGMQ-UHFFFAOYSA-N
XLogP2.42
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-piperidin-1-ylphenyl)boronic acid
CID 4192666
2-pyrrolidin-1-ylbenzoyl chloride
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2-(azocan-1-yl)benzenecarboximidamide
CID 28801457
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
1-(2-piperidin-1-ylphenyl)butan-1-one
CID 10489705
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905
N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide
CID 15407123
N,N-dimethyl-4-[1-(2-piperidin-1-ylphenyl)ethenyl]aniline
CID 22766145
[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone
CID 173035941
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
dimethyl (Z)-2-(2-pyrrolidin-1-ylphenyl)but-2-enedioate
CID 12955040

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide (CID 15665421) is 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide is C/N=C(\NO)c1ccccc1N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide?
The InChIKey is FOBMZNIOHLAGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-14(16-18)12-8-4-5-9-13(12)17-10-6-2-3-7-11-17/h4-5,8-9,18H,2-3,6-7,10-11H2,1H3,(H,15,16).
What are the key properties of 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide?
2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 15665421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).