1-ethylindol-6-amine;1-ethyl-6-nitroindole

C20H22N4O2 — CID 159386864

IUPAC1-ethylindol-6-amine;1-ethyl-6-nitroindole
SMILESCCn1ccc2ccc(N)cc21.CCn1ccc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H10N2O2.C10H12N2/c1-2-11-6-5-8-3-4-9(12(13)14)7-10(8)11;1-2-12-6-5-8-3-4-9(11)7-10(8)12/h3-7H,2H2,1H3;3-7H,2,11H2,1H3
InChIKeyLLPKGNGARPEXRY-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.81
Rot. Bonds3

About 1-ethylindol-6-amine;1-ethyl-6-nitroindole

1-ethylindol-6-amine;1-ethyl-6-nitroindole (PubChem CID 159386864) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-ethylindol-6-amine;1-ethyl-6-nitroindole.

Molecular Properties

Compound Name1-ethylindol-6-amine;1-ethyl-6-nitroindole
PubChem CID159386864
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-ethylindol-6-amine;1-ethyl-6-nitroindole
SMILESCCn1ccc2ccc(N)cc21.CCn1ccc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C10H10N2O2.C10H12N2/c1-2-11-6-5-8-3-4-9(12(13)14)7-10(8)11;1-2-12-6-5-8-3-4-9(11)7-10(8)12/h3-7H,2H2,1H3;3-7H,2,11H2,1H3
InChIKeyLLPKGNGARPEXRY-UHFFFAOYSA-N
XLogP4.81
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-but-2-ynyl-6-nitroindole
CID 116620986
1-(6-nitroindol-1-yl)butan-2-one
CID 62039751
1-(3-methylbutyl)-6-nitroindole
CID 116621059
1-(2-butoxyethyl)-6-nitroindole
CID 116621040
tert-butyl 6-aminoindole-1-carboxylate;tert-butyl 6-nitroindole-1-carboxylate;molecular hydrogen
CID 158779488
[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol
CID 116621083
1-[(4-bromophenyl)methyl]-6-nitroindole
CID 116621093
methyl 2-bromo-3-(6-nitroindol-1-yl)propanoate
CID 81092389
N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide
CID 116621018
1-[(3-methylphenyl)methyl]-6-nitroindole
CID 116620954
5-[(6-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 116621104
2,2-dimethyl-5-(6-nitroindol-1-yl)pentanenitrile
CID 116621000

Frequently Asked Questions

What is the IUPAC name of 1-ethylindol-6-amine;1-ethyl-6-nitroindole?
The IUPAC name of 1-ethylindol-6-amine;1-ethyl-6-nitroindole (CID 159386864) is 1-ethylindol-6-amine;1-ethyl-6-nitroindole.
What is the SMILES notation for 1-ethylindol-6-amine;1-ethyl-6-nitroindole?
The canonical SMILES for 1-ethylindol-6-amine;1-ethyl-6-nitroindole is CCn1ccc2ccc(N)cc21.CCn1ccc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-ethylindol-6-amine;1-ethyl-6-nitroindole?
The InChIKey is LLPKGNGARPEXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C10H12N2/c1-2-11-6-5-8-3-4-9(12(13)14)7-10(8)11;1-2-12-6-5-8-3-4-9(11)7-10(8)12/h3-7H,2H2,1H3;3-7H,2,11H2,1H3.
What are the key properties of 1-ethylindol-6-amine;1-ethyl-6-nitroindole?
1-ethylindol-6-amine;1-ethyl-6-nitroindole has a molecular weight of 350.42 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylindol-6-amine;1-ethyl-6-nitroindole is sourced from PubChem (CID 159386864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).