N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide

C10H20N4O2 — CID 79152042

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide
SMILESCN(CC(N)=NO)C(=O)N1CCCCCC1
InChIInChI=1S/C10H20N4O2/c1-13(8-9(11)12-16)10(15)14-6-4-2-3-5-7-14/h16H,2-8H2,1H3,(H2,11,12)
InChIKeySKJZDRXZXBDTFL-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.66
Rot. Bonds2

About N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide (PubChem CID 79152042) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide
PubChem CID79152042
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide
SMILESCN(CC(N)=NO)C(=O)N1CCCCCC1
InChIInChI=1S/C10H20N4O2/c1-13(8-9(11)12-16)10(15)14-6-4-2-3-5-7-14/h16H,2-8H2,1H3,(H2,11,12)
InChIKeySKJZDRXZXBDTFL-UHFFFAOYSA-N
XLogP0.66
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.66
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

N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide
CID 79162050
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide
CID 116657967
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
CID 76929440
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828686
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide (CID 79152042) is N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide is CN(CC(N)=NO)C(=O)N1CCCCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide?
The InChIKey is SKJZDRXZXBDTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-13(8-9(11)12-16)10(15)14-6-4-2-3-5-7-14/h16H,2-8H2,1H3,(H2,11,12).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide is sourced from PubChem (CID 79152042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).