N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide

C12H23N3O2 — CID 76948246

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
SMILESCC(CNC(=O)C1CCCCCC1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-9(11(13)15-17)8-14-12(16)10-6-4-2-3-5-7-10/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyLKBPQQGLKVLZDH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.46
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide (PubChem CID 76948246) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
PubChem CID76948246
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide
SMILESCC(CNC(=O)C1CCCCCC1)C(N)=NO
InChIInChI=1S/C12H23N3O2/c1-9(11(13)15-17)8-14-12(16)10-6-4-2-3-5-7-10/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyLKBPQQGLKVLZDH-UHFFFAOYSA-N
XLogP1.46
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.46
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

N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(oxolan-2-yl)acetamide
CID 77057841
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide (CID 76948246) is N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide is CC(CNC(=O)C1CCCCCC1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide?
The InChIKey is LKBPQQGLKVLZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(11(13)15-17)8-14-12(16)10-6-4-2-3-5-7-10/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)cycloheptanecarboxamide is sourced from PubChem (CID 76948246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).