N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide

C14H27N3O2 — CID 77052783

IUPACN-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide
SMILESNC(CCCCNC(=O)C1CCCCCCC1)=NO
InChIInChI=1S/C14H27N3O2/c15-13(17-19)10-6-7-11-16-14(18)12-8-4-2-1-3-5-9-12/h12,19H,1-11H2,(H2,15,17)(H,16,18)
InChIKeyDXUWXDLUTAINMB-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.38
Rot. Bonds6

About N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide

N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide (PubChem CID 77052783) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide
PubChem CID77052783
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide
SMILESNC(CCCCNC(=O)C1CCCCCCC1)=NO
InChIInChI=1S/C14H27N3O2/c15-13(17-19)10-6-7-11-16-14(18)12-8-4-2-1-3-5-9-12/h12,19H,1-11H2,(H2,15,17)(H,16,18)
InChIKeyDXUWXDLUTAINMB-UHFFFAOYSA-N
XLogP2.38
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-amino-5-hydroxyiminopentyl)cyclopentanecarboxamide
CID 77036807
N-(5-amino-5-hydroxyiminopentyl)-2-cyclopentylacetamide
CID 77036704
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
N-[(5E)-5-amino-5-hydroxyiminopentyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894046
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide
CID 76952873
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
1-(5-amino-5-hydroxyiminopentyl)-3-cyclopropylurea
CID 77036914
N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
CID 62665924
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide (CID 77052783) is N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide is NC(CCCCNC(=O)C1CCCCCCC1)=NO.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide?
The InChIKey is DXUWXDLUTAINMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c15-13(17-19)10-6-7-11-16-14(18)12-8-4-2-1-3-5-9-12/h12,19H,1-11H2,(H2,15,17)(H,16,18).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide?
N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide has a molecular weight of 269.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)cyclooctanecarboxamide is sourced from PubChem (CID 77052783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).