3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide

C11H14N4O — CID 88521979

IUPAC3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide
SMILESNCCc1c[nH]c2ccc(/C(N)=N/O)cc12
InChIInChI=1S/C11H14N4O/c12-4-3-8-6-14-10-2-1-7(5-9(8)10)11(13)15-16/h1-2,5-6,14,16H,3-4,12H2,(H2,13,15)
InChIKeyVWQUMUZTJOHYIE-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.76
Rot. Bonds3

About 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide

3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide (PubChem CID 88521979) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide
PubChem CID88521979
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide
SMILESNCCc1c[nH]c2ccc(/C(N)=N/O)cc12
InChIInChI=1S/C11H14N4O/c12-4-3-8-6-14-10-2-1-7(5-9(8)10)11(13)15-16/h1-2,5-6,14,16H,3-4,12H2,(H2,13,15)
InChIKeyVWQUMUZTJOHYIE-UHFFFAOYSA-N
XLogP0.76
TPSA100.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.76
H-Bond Donors ≤ 54
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

3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid
CID 11709509
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
CID 20976500
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
3-(2-aminoethyl)-1H-indole-5-carboxamide;(E)-but-2-enedioic acid;ethanol
CID 166640054
bis(3-(2-aminoethyl)-1H-indole-5-carboxamide);bis((Z)-but-2-enedioic acid);ethanol
CID 71308727
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide
CID 14326601
oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
CID 21071579
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide?
The IUPAC name of 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide (CID 88521979) is 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide.
What is the SMILES notation for 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide?
The canonical SMILES for 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide is NCCc1c[nH]c2ccc(/C(N)=N/O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide?
The InChIKey is VWQUMUZTJOHYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-4-3-8-6-14-10-2-1-7(5-9(8)10)11(13)15-16/h1-2,5-6,14,16H,3-4,12H2,(H2,13,15).
What are the key properties of 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide?
3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide has a molecular weight of 218.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N'-hydroxy-1H-indole-5-carboximidamide is sourced from PubChem (CID 88521979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).