N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide

C10H20N4O2 — CID 79152481

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1)C(N)=NO
InChIInChI=1S/C10H20N4O2/c1-8(9(11)13-16)12-10(15)14-6-4-2-3-5-7-14/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15)
InChIKeyVBVRAZCKJWJARM-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.71
Rot. Bonds2

About N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide (PubChem CID 79152481) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide
PubChem CID79152481
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide
SMILESCC(NC(=O)N1CCCCCC1)C(N)=NO
InChIInChI=1S/C10H20N4O2/c1-8(9(11)13-16)12-10(15)14-6-4-2-3-5-7-14/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15)
InChIKeyVBVRAZCKJWJARM-UHFFFAOYSA-N
XLogP0.71
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
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

(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)azepane-1-carboxamide
CID 79151860
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 44549258
3-(azocan-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76924604
(2R)-2-(azocane-1-carbonylamino)-3-methylbutanoic acid
CID 79010449
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 116657686
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
N-(1-cyanoethyl)piperidine-1-carboxamide
CID 79155449

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide (CID 79152481) is N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide is CC(NC(=O)N1CCCCCC1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide?
The InChIKey is VBVRAZCKJWJARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-8(9(11)13-16)12-10(15)14-6-4-2-3-5-7-14/h8,16H,2-7H2,1H3,(H2,11,13)(H,12,15).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)azepane-1-carboxamide is sourced from PubChem (CID 79152481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).