4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine

C20H22N2 — CID 174611307

IUPAC4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine
SMILES[H]/N=C(\Cc1ccccc1)CC(C)(C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H22N2/c1-20(2,14-18(21)12-15-6-4-3-5-7-15)17-8-9-19-16(13-17)10-11-22-19/h3-11,13,21-22H,12,14H2,1-2H3/b21-18+
InChIKeyPZRUUBXYLQXWHF-DYTRJAOYSA-N
MW290.41 g/mol
LogP5.10
Rot. Bonds5

About 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine

4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine (PubChem CID 174611307) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine
PubChem CID174611307
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine
SMILES[H]/N=C(\Cc1ccccc1)CC(C)(C)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H22N2/c1-20(2,14-18(21)12-15-6-4-3-5-7-15)17-8-9-19-16(13-17)10-11-22-19/h3-11,13,21-22H,12,14H2,1-2H3/b21-18+
InChIKeyPZRUUBXYLQXWHF-DYTRJAOYSA-N
XLogP5.10
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine?
The IUPAC name of 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine (CID 174611307) is 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine.
What is the SMILES notation for 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine?
The canonical SMILES for 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine is [H]/N=C(\Cc1ccccc1)CC(C)(C)c1ccc2[nH]ccc2c1.
What is the InChIKey of 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine?
The InChIKey is PZRUUBXYLQXWHF-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-20(2,14-18(21)12-15-6-4-3-5-7-15)17-8-9-19-16(13-17)10-11-22-19/h3-11,13,21-22H,12,14H2,1-2H3/b21-18+.
What are the key properties of 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine?
4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine has a molecular weight of 290.41 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-4-methyl-1-phenylpentan-2-imine is sourced from PubChem (CID 174611307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).