N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide

C15H21N3O2 — CID 77002526

IUPACN'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide
SMILESCC1CCCN(C(=O)c2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-11-3-2-9-18(10-8-11)15(19)13-6-4-12(5-7-13)14(16)17-20/h4-7,11,20H,2-3,8-10H2,1H3,(H2,16,17)
InChIKeyMYSQCSFEDXRYGO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.04
Rot. Bonds2

About N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide

N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide (PubChem CID 77002526) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide
PubChem CID77002526
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide
SMILESCC1CCCN(C(=O)c2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C15H21N3O2/c1-11-3-2-9-18(10-8-11)15(19)13-6-4-12(5-7-13)14(16)17-20/h4-7,11,20H,2-3,8-10H2,1H3,(H2,16,17)
InChIKeyMYSQCSFEDXRYGO-UHFFFAOYSA-N
XLogP2.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.04
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)benzenecarboximidamide
CID 43373259
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide
CID 79163310
N'-hydroxy-4-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77001998
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
[4-(chloromethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622830
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210
1-methyl-5-[(4S)-4-methylazepane-1-carbonyl]pyridin-2-one
CID 95591235
N'-hydroxy-4-(3,4,5-trimethylpiperazine-1-carbonyl)benzenecarboximidamide
CID 114539189
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide (CID 77002526) is N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide is CC1CCCN(C(=O)c2ccc(C(N)=NO)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide?
The InChIKey is MYSQCSFEDXRYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-3-2-9-18(10-8-11)15(19)13-6-4-12(5-7-13)14(16)17-20/h4-7,11,20H,2-3,8-10H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide?
N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide has a molecular weight of 275.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methylazepane-1-carbonyl)benzenecarboximidamide is sourced from PubChem (CID 77002526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).