1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine

C21H28N2 — CID 4920926

IUPAC1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(C23CC4CC(CC(C4)C2)C3)[nH]c2ccccc12
InChIInChI=1S/C21H28N2/c1-23(2)13-18-17-5-3-4-6-19(17)22-20(18)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,22H,7-13H2,1-2H3
InChIKeyOMMBISNTQNZMFG-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.70
Rot. Bonds3

About 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine

1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine (PubChem CID 4920926) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine
PubChem CID4920926
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(C23CC4CC(CC(C4)C2)C3)[nH]c2ccccc12
InChIInChI=1S/C21H28N2/c1-23(2)13-18-17-5-3-4-6-19(17)22-20(18)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,22H,7-13H2,1-2H3
InChIKeyOMMBISNTQNZMFG-UHFFFAOYSA-N
XLogP4.70
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine (CID 4920926) is 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1c(C23CC4CC(CC(C4)C2)C3)[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is OMMBISNTQNZMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-23(2)13-18-17-5-3-4-6-19(17)22-20(18)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16,22H,7-13H2,1-2H3.
What are the key properties of 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine?
1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 308.47 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)-1H-indol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 4920926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).