1-hexyl-N'-hydroxyindole-4-carboximidamide

C15H21N3O — CID 107919489

IUPAC1-hexyl-N'-hydroxyindole-4-carboximidamide
SMILESCCCCCCn1ccc2c(/C(N)=N/O)cccc21
InChIInChI=1S/C15H21N3O/c1-2-3-4-5-10-18-11-9-12-13(15(16)17-19)7-6-8-14(12)18/h6-9,11,19H,2-5,10H2,1H3,(H2,16,17)
InChIKeyHFOLNWYGNHUCHQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.32
Rot. Bonds6

About 1-hexyl-N'-hydroxyindole-4-carboximidamide

1-hexyl-N'-hydroxyindole-4-carboximidamide (PubChem CID 107919489) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-hexyl-N'-hydroxyindole-4-carboximidamide.

Molecular Properties

Compound Name1-hexyl-N'-hydroxyindole-4-carboximidamide
PubChem CID107919489
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-hexyl-N'-hydroxyindole-4-carboximidamide
SMILESCCCCCCn1ccc2c(/C(N)=N/O)cccc21
InChIInChI=1S/C15H21N3O/c1-2-3-4-5-10-18-11-9-12-13(15(16)17-19)7-6-8-14(12)18/h6-9,11,19H,2-5,10H2,1H3,(H2,16,17)
InChIKeyHFOLNWYGNHUCHQ-UHFFFAOYSA-N
XLogP3.32
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.32
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-1-(2-pyrazol-1-ylethyl)indole-4-carboximidamide
CID 107919584
2-[4-(N'-hydroxycarbamimidoyl)indol-1-yl]acetic acid
CID 173101260
1-(2-cyclopropylethyl)-N'-hydroxyindole-4-carboximidamide
CID 114015889
1-(2,2-difluoroethyl)-N'-hydroxyindole-4-carboximidamide
CID 107919513
1-heptyl-4-methoxyindole
CID 83174164
6,18-di(undecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783653
6,18-di(tridecyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783644
6,18-diheptyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783572
ethanimidamide;(E)-1-(1-heptylindol-4-yl)-N-[(3S)-3-methylhept-1-en-2-yl]oxyethanimine
CID 145056767
N'-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-4-carboximidamide
CID 107919541
1-[(5-chlorothiophen-2-yl)methyl]-N'-hydroxyindole-4-carboximidamide
CID 107919516
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-N'-hydroxyindole-4-carboximidamide?
The IUPAC name of 1-hexyl-N'-hydroxyindole-4-carboximidamide (CID 107919489) is 1-hexyl-N'-hydroxyindole-4-carboximidamide.
What is the SMILES notation for 1-hexyl-N'-hydroxyindole-4-carboximidamide?
The canonical SMILES for 1-hexyl-N'-hydroxyindole-4-carboximidamide is CCCCCCn1ccc2c(/C(N)=N/O)cccc21.
What is the InChIKey of 1-hexyl-N'-hydroxyindole-4-carboximidamide?
The InChIKey is HFOLNWYGNHUCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-4-5-10-18-11-9-12-13(15(16)17-19)7-6-8-14(12)18/h6-9,11,19H,2-5,10H2,1H3,(H2,16,17).
What are the key properties of 1-hexyl-N'-hydroxyindole-4-carboximidamide?
1-hexyl-N'-hydroxyindole-4-carboximidamide has a molecular weight of 259.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-N'-hydroxyindole-4-carboximidamide is sourced from PubChem (CID 107919489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).