N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide

C19H24N4S — CID 15950434

IUPACN'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide
SMILESCN(C)CCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C19H24N4S/c1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21)
InChIKeyJAOUJDDSXCIDJS-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.08
Rot. Bonds7

About N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide

N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide (PubChem CID 15950434) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide
PubChem CID15950434
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC NameN'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide
SMILESCN(C)CCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21
InChIInChI=1S/C19H24N4S/c1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21)
InChIKeyJAOUJDDSXCIDJS-UHFFFAOYSA-N
XLogP4.08
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide (CID 15950434) is N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide is CN(C)CCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.
What is the InChIKey of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide?
The InChIKey is JAOUJDDSXCIDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-22(2)10-3-4-11-23-12-9-15-7-8-16(14-17(15)23)21-19(20)18-6-5-13-24-18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H2,20,21).
What are the key properties of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide?
N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide has a molecular weight of 340.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 15950434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).