N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide

C20H26N4S — CID 89329677

IUPACN'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide
SMILESCCCC(CCCN)c1c[nH]c2cc(/N=C(\N)c3cccs3)ccc12
InChIInChI=1S/C20H26N4S/c1-2-5-14(6-3-10-21)17-13-23-18-12-15(8-9-16(17)18)24-20(22)19-7-4-11-25-19/h4,7-9,11-14,23H,2-3,5-6,10,21H2,1H3,(H2,22,24)
InChIKeyIKMKINULLMBAOQ-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.89
Rot. Bonds8

About N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide

N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide (PubChem CID 89329677) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide
PubChem CID89329677
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC NameN'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide
SMILESCCCC(CCCN)c1c[nH]c2cc(/N=C(\N)c3cccs3)ccc12
InChIInChI=1S/C20H26N4S/c1-2-5-14(6-3-10-21)17-13-23-18-12-15(8-9-16(17)18)24-20(22)19-7-4-11-25-19/h4,7-9,11-14,23H,2-3,5-6,10,21H2,1H3,(H2,22,24)
InChIKeyIKMKINULLMBAOQ-UHFFFAOYSA-N
XLogP4.89
TPSA80.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide (CID 89329677) is N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide is CCCC(CCCN)c1c[nH]c2cc(/N=C(\N)c3cccs3)ccc12.
What is the InChIKey of N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide?
The InChIKey is IKMKINULLMBAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S/c1-2-5-14(6-3-10-21)17-13-23-18-12-15(8-9-16(17)18)24-20(22)19-7-4-11-25-19/h4,7-9,11-14,23H,2-3,5-6,10,21H2,1H3,(H2,22,24).
What are the key properties of N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide?
N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 354.52 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-aminoheptan-4-yl)-1H-indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 89329677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).