N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride

C18H24Cl2N4S — CID 66912498

IUPACN'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN(C)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.Cl.Cl
InChIInChI=1S/C18H22N4S.2ClH/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17;;/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20);2*1H
InChIKeyODYRBFJURNBYKM-UHFFFAOYSA-N
MW399.39 g/mol
LogP4.54
Rot. Bonds6

About N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride

N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride (PubChem CID 66912498) has the molecular formula C18H24Cl2N4S and a molecular weight of 399.39 g/mol. Its IUPAC name is N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
PubChem CID66912498
Molecular FormulaC18H24Cl2N4S
Molecular Weight399.39 g/mol
Exact Mass398.11
IUPAC NameN'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride
SMILESCN(C)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.Cl.Cl
InChIInChI=1S/C18H22N4S.2ClH/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17;;/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20);2*1H
InChIKeyODYRBFJURNBYKM-UHFFFAOYSA-N
XLogP4.54
TPSA46.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
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-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride (CID 66912498) is N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride is CN(C)CCCn1ccc2ccc(/N=C(\N)c3cccs3)cc21.Cl.Cl.
What is the InChIKey of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
The InChIKey is ODYRBFJURNBYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S.2ClH/c1-21(2)9-4-10-22-11-8-14-6-7-15(13-16(14)22)20-18(19)17-5-3-12-23-17;;/h3,5-8,11-13H,4,9-10H2,1-2H3,(H2,19,20);2*1H.
What are the key properties of N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride?
N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride has a molecular weight of 399.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[3-(dimethylamino)propyl]indol-6-yl]thiophene-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 66912498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).