5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide

C13H25N3O — CID 82750587

IUPAC5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide
SMILESNC(CCCCN1CCC2CCCCC21)=NO
InChIInChI=1S/C13H25N3O/c14-13(15-17)7-3-4-9-16-10-8-11-5-1-2-6-12(11)16/h11-12,17H,1-10H2,(H2,14,15)
InChIKeyBFKHGTPBHGWBLJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.17
Rot. Bonds5

About 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide

5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide (PubChem CID 82750587) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide
PubChem CID82750587
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide
SMILESNC(CCCCN1CCC2CCCCC21)=NO
InChIInChI=1S/C13H25N3O/c14-13(15-17)7-3-4-9-16-10-8-11-5-1-2-6-12(11)16/h11-12,17H,1-10H2,(H2,14,15)
InChIKeyBFKHGTPBHGWBLJ-UHFFFAOYSA-N
XLogP2.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
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'-hydroxy-5-(2-methylpiperidin-1-yl)pentanimidamide
CID 109374519
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanimidamide
CID 82750382
1-(3-bromopropyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749789
3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)propan-1-ol
CID 130620337
methyl 4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)butanoate
CID 78967455
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-amino-2-methylpentanamide
CID 82752654
4-(2,4-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
CID 76939939
7-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)heptan-1-amine
CID 43628297
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(methylamino)hexanamide
CID 82750801
ethyl 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanoate
CID 78989273
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-aminobutanoic acid
CID 82750702
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexan-3-one
CID 106801610

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide (CID 82750587) is 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide is NC(CCCCN1CCC2CCCCC21)=NO.
What is the InChIKey of 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is BFKHGTPBHGWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-13(15-17)7-3-4-9-16-10-8-11-5-1-2-6-12(11)16/h11-12,17H,1-10H2,(H2,14,15).
What are the key properties of 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide?
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 239.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 82750587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).