N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide

C10H20N4O2 — CID 79152311

IUPACN-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide
SMILESNC(CCNC(=O)N1CCCCCC1)=NO
InChIInChI=1S/C10H20N4O2/c11-9(13-16)5-6-12-10(15)14-7-3-1-2-4-8-14/h16H,1-8H2,(H2,11,13)(H,12,15)
InChIKeyONMLLWQOPYECHR-UHFFFAOYSA-N
MW228.30 g/mol
LogP0.71
Rot. Bonds3

About N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide

N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide (PubChem CID 79152311) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide
PubChem CID79152311
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide
SMILESNC(CCNC(=O)N1CCCCCC1)=NO
InChIInChI=1S/C10H20N4O2/c11-9(13-16)5-6-12-10(15)14-7-3-1-2-4-8-14/h16H,1-8H2,(H2,11,13)(H,12,15)
InChIKeyONMLLWQOPYECHR-UHFFFAOYSA-N
XLogP0.71
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

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N'-hydroxy-5-[(2-oxo-2-piperidin-1-ylethyl)amino]pentanimidamide
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N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide
CID 115583768
N-(3-hydroxypropyl)piperidine-1-carboxamide
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N-(2-acetamidoethyl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide (CID 79152311) is N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide is NC(CCNC(=O)N1CCCCCC1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide?
The InChIKey is ONMLLWQOPYECHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c11-9(13-16)5-6-12-10(15)14-7-3-1-2-4-8-14/h16H,1-8H2,(H2,11,13)(H,12,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)azepane-1-carboxamide is sourced from PubChem (CID 79152311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).