dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine

C19H19Cl2CoN3+ — CID 59163589

IUPACdichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine
SMILESCN(CC1=Nc2ccccc2C1)CC1=Nc2ccccc2C1.Cl[Co+]Cl
InChIInChI=1S/C19H19N3.2ClH.Co/c1-22(12-16-10-14-6-2-4-8-18(14)20-16)13-17-11-15-7-3-5-9-19(15)21-17;;;/h2-9H,10-13H2,1H3;2*1H;/q;;;+3/p-2
InChIKeyROSOPDXWTNGHKC-UHFFFAOYSA-L
MW419.22 g/mol
LogP4.95
Rot. Bonds4

About dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine

dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine (PubChem CID 59163589) has the molecular formula C19H19Cl2CoN3+ and a molecular weight of 419.22 g/mol. Its IUPAC name is dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Namedichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine
PubChem CID59163589
Molecular FormulaC19H19Cl2CoN3+
Molecular Weight419.22 g/mol
Exact Mass418.03
IUPAC Namedichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine
SMILESCN(CC1=Nc2ccccc2C1)CC1=Nc2ccccc2C1.Cl[Co+]Cl
InChIInChI=1S/C19H19N3.2ClH.Co/c1-22(12-16-10-14-6-2-4-8-18(14)20-16)13-17-11-15-7-3-5-9-19(15)21-17;;;/h2-9H,10-13H2,1H3;2*1H;/q;;;+3/p-2
InChIKeyROSOPDXWTNGHKC-UHFFFAOYSA-L
XLogP4.95
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.22
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine?
The IUPAC name of dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine (CID 59163589) is dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine?
The canonical SMILES for dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine is CN(CC1=Nc2ccccc2C1)CC1=Nc2ccccc2C1.Cl[Co+]Cl.
What is the InChIKey of dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine?
The InChIKey is ROSOPDXWTNGHKC-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H19N3.2ClH.Co/c1-22(12-16-10-14-6-2-4-8-18(14)20-16)13-17-11-15-7-3-5-9-19(15)21-17;;;/h2-9H,10-13H2,1H3;2*1H;/q;;;+3/p-2.
What are the key properties of dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine?
dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine has a molecular weight of 419.22 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocobalt(1+);1-(3H-indol-2-yl)-N-(3H-indol-2-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 59163589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).