N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide

C13H19FN4 — CID 103504865

IUPACN-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCc2ccc(F)cc21
InChIInChI=1S/C13H19FN4/c1-2-3-7-16-13(17-15)18-8-6-10-4-5-11(14)9-12(10)18/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyIQMDUAQFWWQIRJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.81
Rot. Bonds3

About N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide

N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide (PubChem CID 103504865) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
PubChem CID103504865
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC NameN-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCc2ccc(F)cc21
InChIInChI=1S/C13H19FN4/c1-2-3-7-16-13(17-15)18-8-6-10-4-5-11(14)9-12(10)18/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyIQMDUAQFWWQIRJ-UHFFFAOYSA-N
XLogP1.81
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
N-amino-N'-butyl-4-(2-fluorophenyl)piperazine-1-carboximidamide
CID 116511221
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
CID 103495606
1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-imine
CID 103503764
[4-(ethylamino)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502194
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-N'-hydroxybutanimidamide
CID 103501035
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
N'-cyclopropyl-6-fluoro-2,3-dihydroindole-1-carboximidamide
CID 103496998
1-amino-3-(2-bromo-4-fluorophenyl)-2-butylguanidine
CID 116512697

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide (CID 103504865) is N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide is CCCC/N=C(\NN)N1CCc2ccc(F)cc21.
What is the InChIKey of N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide?
The InChIKey is IQMDUAQFWWQIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4/c1-2-3-7-16-13(17-15)18-8-6-10-4-5-11(14)9-12(10)18/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17).
What are the key properties of N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide?
N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide has a molecular weight of 250.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-6-fluoro-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 103504865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).