N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide

C15H23N3 — CID 110984242

IUPACN'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
SMILESCCCCCN/C(=N\C)N1CCc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-4-7-11-17-15(16-2)18-12-10-13-8-5-6-9-14(13)18/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,16,17)
InChIKeyUJDUIXRUXPNELD-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.81
Rot. Bonds4

About N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110984242) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110984242
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
SMILESCCCCCN/C(=N\C)N1CCc2ccccc21
InChIInChI=1S/C15H23N3/c1-3-4-7-11-17-15(16-2)18-12-10-13-8-5-6-9-14(13)18/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,16,17)
InChIKeyUJDUIXRUXPNELD-UHFFFAOYSA-N
XLogP2.81
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110983754
methyl 5-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]pentanoate
CID 110983814
N-[3-(ethylsulfonylamino)propyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984215
N-[2-(diethylamino)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984243
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide
CID 110983752
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984740
N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116456
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111495333

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide (CID 110984242) is N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide is CCCCCN/C(=N\C)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is UJDUIXRUXPNELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-4-7-11-17-15(16-2)18-12-10-13-8-5-6-9-14(13)18/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,16,17).
What are the key properties of N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 245.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110984242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).