N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide

C20H26N4S — CID 56924689

IUPACN'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
SMILESCNC1CCC(N2CCc3ccc(/N=C(\N)c4cccs4)cc32)CC1
InChIInChI=1S/C20H26N4S/c1-22-15-6-8-17(9-7-15)24-11-10-14-4-5-16(13-18(14)24)23-20(21)19-3-2-12-25-19/h2-5,12-13,15,17,22H,6-11H2,1H3,(H2,21,23)
InChIKeyHGVUTNMCDMGTOE-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.68
Rot. Bonds4

About N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide

N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide (PubChem CID 56924689) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
PubChem CID56924689
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC NameN'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide
SMILESCNC1CCC(N2CCc3ccc(/N=C(\N)c4cccs4)cc32)CC1
InChIInChI=1S/C20H26N4S/c1-22-15-6-8-17(9-7-15)24-11-10-14-4-5-16(13-18(14)24)23-20(21)19-3-2-12-25-19/h2-5,12-13,15,17,22H,6-11H2,1H3,(H2,21,23)
InChIKeyHGVUTNMCDMGTOE-UHFFFAOYSA-N
XLogP3.68
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide (CID 56924689) is N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide is CNC1CCC(N2CCc3ccc(/N=C(\N)c4cccs4)cc32)CC1.
What is the InChIKey of N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide?
The InChIKey is HGVUTNMCDMGTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S/c1-22-15-6-8-17(9-7-15)24-11-10-14-4-5-16(13-18(14)24)23-20(21)19-3-2-12-25-19/h2-5,12-13,15,17,22H,6-11H2,1H3,(H2,21,23).
What are the key properties of N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide?
N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide has a molecular weight of 354.52 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(methylamino)cyclohexyl]-2,3-dihydroindol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 56924689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).