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

C19H26Cl2N4S — CID 90664950

IUPACN'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN(C)CCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.Cl.Cl
InChIInChI=1S/C19H24N4S.2ClH/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);2*1H
InChIKeyYVWCOQJIJBBJRG-UHFFFAOYSA-N
MW413.42 g/mol
LogP4.93
Rot. Bonds7

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

N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 90664950) has the molecular formula C19H26Cl2N4S and a molecular weight of 413.42 g/mol. Its IUPAC name is N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID90664950
Molecular FormulaC19H26Cl2N4S
Molecular Weight413.42 g/mol
Exact Mass412.13
IUPAC NameN'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN(C)CCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.Cl.Cl
InChIInChI=1S/C19H24N4S.2ClH/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);2*1H
InChIKeyYVWCOQJIJBBJRG-UHFFFAOYSA-N
XLogP4.93
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 54.93
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;dihydrochloride?
The IUPAC name of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride (CID 90664950) is N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride is CN(C)CCCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.Cl.Cl.
What is the InChIKey of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is YVWCOQJIJBBJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S.2ClH/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);2*1H.
What are the key properties of N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
N'-[1-[4-(dimethylamino)butyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 413.42 g/mol, XLogP of 4.93, 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;dihydrochloride is sourced from PubChem (CID 90664950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).