2-(1-adamantyl)-1H-indol-5-amine

C18H22N2 — CID 174779218

IUPAC2-(1-adamantyl)-1H-indol-5-amine
SMILESNc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)cc2c1
InChIInChI=1S/C18H22N2/c19-15-1-2-16-14(6-15)7-17(20-16)18-8-11-3-12(9-18)5-13(4-11)10-18/h1-2,6-7,11-13,20H,3-5,8-10,19H2
InChIKeyPRDQRJDZTGAFCN-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.22
Rot. Bonds1

About 2-(1-adamantyl)-1H-indol-5-amine

2-(1-adamantyl)-1H-indol-5-amine (PubChem CID 174779218) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-1H-indol-5-amine.

Molecular Properties

Compound Name2-(1-adamantyl)-1H-indol-5-amine
PubChem CID174779218
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-(1-adamantyl)-1H-indol-5-amine
SMILESNc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)cc2c1
InChIInChI=1S/C18H22N2/c19-15-1-2-16-14(6-15)7-17(20-16)18-8-11-3-12(9-18)5-13(4-11)10-18/h1-2,6-7,11-13,20H,3-5,8-10,19H2
InChIKeyPRDQRJDZTGAFCN-UHFFFAOYSA-N
XLogP4.22
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1H-indol-5-amine?
The IUPAC name of 2-(1-adamantyl)-1H-indol-5-amine (CID 174779218) is 2-(1-adamantyl)-1H-indol-5-amine.
What is the SMILES notation for 2-(1-adamantyl)-1H-indol-5-amine?
The canonical SMILES for 2-(1-adamantyl)-1H-indol-5-amine is Nc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)cc2c1.
What is the InChIKey of 2-(1-adamantyl)-1H-indol-5-amine?
The InChIKey is PRDQRJDZTGAFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-15-1-2-16-14(6-15)7-17(20-16)18-8-11-3-12(9-18)5-13(4-11)10-18/h1-2,6-7,11-13,20H,3-5,8-10,19H2.
What are the key properties of 2-(1-adamantyl)-1H-indol-5-amine?
2-(1-adamantyl)-1H-indol-5-amine has a molecular weight of 266.39 g/mol, XLogP of 4.22, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1H-indol-5-amine is sourced from PubChem (CID 174779218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).