N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride

C20H26Cl2N4O — CID 90662876

IUPACN'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride
SMILESCN1CCCC(n2ccc3cc(/N=C(\N)c4ccco4)ccc32)CC1.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-23-10-2-4-17(9-11-23)24-12-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19;;/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22);2*1H
InChIKeyYHYVABDRQFHDPA-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.77
Rot. Bonds3

About N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride

N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride (PubChem CID 90662876) has the molecular formula C20H26Cl2N4O and a molecular weight of 409.36 g/mol. Its IUPAC name is N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride
PubChem CID90662876
Molecular FormulaC20H26Cl2N4O
Molecular Weight409.36 g/mol
Exact Mass408.15
IUPAC NameN'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride
SMILESCN1CCCC(n2ccc3cc(/N=C(\N)c4ccco4)ccc32)CC1.Cl.Cl
InChIInChI=1S/C20H24N4O.2ClH/c1-23-10-2-4-17(9-11-23)24-12-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19;;/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22);2*1H
InChIKeyYHYVABDRQFHDPA-UHFFFAOYSA-N
XLogP4.77
TPSA59.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.77
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-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride?
The IUPAC name of N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride (CID 90662876) is N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride.
What is the SMILES notation for N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride?
The canonical SMILES for N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride is CN1CCCC(n2ccc3cc(/N=C(\N)c4ccco4)ccc32)CC1.Cl.Cl.
What is the InChIKey of N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride?
The InChIKey is YHYVABDRQFHDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.2ClH/c1-23-10-2-4-17(9-11-23)24-12-8-15-14-16(6-7-18(15)24)22-20(21)19-5-3-13-25-19;;/h3,5-8,12-14,17H,2,4,9-11H2,1H3,(H2,21,22);2*1H.
What are the key properties of N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride?
N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride has a molecular weight of 409.36 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-methylazepan-4-yl)indol-5-yl]furan-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 90662876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).