N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide

C20H33N5 — CID 110983754

IUPACN-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESCCN1CCN(CCCCN/C(=N\C)N2CCc3ccccc32)CC1
InChIInChI=1S/C20H33N5/c1-3-23-14-16-24(17-15-23)12-7-6-11-22-20(21-2)25-13-10-18-8-4-5-9-19(18)25/h4-5,8-9H,3,6-7,10-17H2,1-2H3,(H,21,22)
InChIKeyQNWXCZJRJHWFHP-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.04
Rot. Bonds6

About N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide

N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983754) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110983754
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESCCN1CCN(CCCCN/C(=N\C)N2CCc3ccccc32)CC1
InChIInChI=1S/C20H33N5/c1-3-23-14-16-24(17-15-23)12-7-6-11-22-20(21-2)25-13-10-18-8-4-5-9-19(18)25/h4-5,8-9H,3,6-7,10-17H2,1-2H3,(H,21,22)
InChIKeyQNWXCZJRJHWFHP-UHFFFAOYSA-N
XLogP2.04
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.04
H-Bond Donors ≤ 51
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'}

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Related Compounds

N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N'-methyl-N-(2-piperidin-1-ylethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984997
N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]-2,3-dihydroindole-1-carboximidamide
CID 110983752
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-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324
N-(2-imidazol-1-ylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984740
N-cyclopentyl-3-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 110983412
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110984363
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 110985230

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 110983754) is N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is CCN1CCN(CCCCN/C(=N\C)N2CCc3ccccc32)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is QNWXCZJRJHWFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-3-23-14-16-24(17-15-23)12-7-6-11-22-20(21-2)25-13-10-18-8-4-5-9-19(18)25/h4-5,8-9H,3,6-7,10-17H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 343.52 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).